data_2001972
_journal_name_full 'Acta Crystallographica, Section C'
_journal_year 1993
_journal_volume C49
_journal_page_first 318
_journal_page_last 320
loop_
_publ_author_name
'Herdtweck, E.'
'Kreusel, U.'
_chemical_formula_moiety '4(C2 H8 N1), Cl1, Bi1 Cl6'
_chemical_formula_sum 'C8 H32 Bi1 Cl7 N4'
_chemical_formula_weight 641.5
_symmetry_cell_setting orthorhombic
_symmetry_space_group_name_H-M 'P 21 21 2'
_cell_length_a 10.3420(10)
_cell_length_b 13.5100(10)
_cell_length_c 8.6930(10)
_cell_angle_alpha  90
_cell_angle_beta  90
_cell_angle_gamma  90
_cell_volume 1215
_cell_formula_units_Z 2
_exptl_crystal_density_diffrn 1.754
_exptl_crystal_density_meas ?
_exptl_crystal_F_000 620
_exptl_absorpt_coefficient_mu 20.01
_diffrn_radiation_type Cu
_diffrn_radiation_wavelength 1.54184
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Bi .5 .0 .06444(7) .0478(2)
Cl(1) .7318(3) .0939(3) .0612(5) .0714(12)
Cl(2) .4103(4) .1386(3) -.1381(5) .0724(13)
Cl(3) .5749(5) -.1210(5) .2893(6) .0979(19)
Cl(4) .0 .0 .4991(11) .152(5)
N(1) .121(2)   .1886(14) .008(3)   .118(9)
C(11) .063(3)   .140(2)   -.128(3)   .113(10)
C(12) .093(2)   .1386(18) .150(3)   .109(10)
N(2) .2368(17) .4056(14) .5381(17) .087(6)
C(21) .180(3)   .432(2)   .394(3)   .125(11)
C(22) .258(3)   .3048(18) .540(3)   .117(11)
H(11) .088(2)   .2542(14) .015(3)   ?
H(12) .212(2)   .1905(14) -.005(3)   ?
H(111) .084(3)   .176(2)   -.218(3)   ?
H(112) -.029(3)   .138(2)   -.116(3)   ?
H(113) .095(3)   .074(2)   -.136(3)   ?
H(121) .132(2)   .1730(18) .233(3)   ?
H(122) .125(2)   .0729(18) .146(3)   ?
H(123) .002(2)   .1367(18) .166(3)   ?
H(21) .1803(17) .4233(14) .6198(17) ?
H(22) .3168(17) .4392(14) .5501(17) ?
H(211) .165(3)   .502(2)   .392(3)   ?
H(212) .100(3)   .399(2)   .382(3)   ?
H(213) .236(3)   .415(2)   .313(3)   ?
H(221) .296(3)   .2863(18) .635(3)   ?
H(222) .314(3)   .2873(18) .458(3)   ?
H(233) .178(3)   .2713(18) .528(3)   ?