data_2000540
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  1837
_journal_page_last  1839
loop_
_publ_author_name
 'Kirschbaum, K.'
 'Giolando, D.M.'
_chemical_formula_moiety  '2(C6 H7 Cl2 N3 Ti1)'
_chemical_formula_sum  'C12 H14 Cl4 N6 Ti2'
_chemical_formula_weight  479.9
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/c'
_symmetry_space_group_name_Hall  ?
_cell_length_a  7.101(2)
_cell_length_b  13.920(3)
_cell_length_c  19.050(4)
_cell_angle_alpha  90.
_cell_angle_beta  98.47(2)
_cell_angle_gamma  90.
_cell_volume  1863(5)
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.71
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  960
_exptl_absorpt_coefficient_mu  1.44
_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
 Ti(1) .69320(10)
       .46992(7) .65993(5)
 Ti(2) .80470(10)
       .49655(7) .84539(5)
 Cl(1) .4690(2) .57880(10)
       .61374(9)
 Cl(2) .4877(3) .34530(10)
       .62680(10)
 Cl(3) 1.0251(2) .38520(10)
        .89107(9)
 Cl(4) 1.0204(2) .61800(10)
        .87363(9)
 N(1) .7478(6) .3984(3) .7592(2)
 N(2) .7569(6) .3108(4) .7646(2)
 N(3) .7644(8) .2295(4) .7693(3)
 N(4) .7412(6) .5688(3) .7473(2)
 N(5) .7364(6) .6561(3) .7405(2)
 N(6) .7319(8) .7364(4) .7347(3)
 C(1) 1.0075(9) .5098(7) .6517(4)
 C(2) .9960(10)
     .4135(6) .6503(5)
 C(3) .8910(10)
     .3857(7) .5961(5)
 C(4) .8240(10)
     .4623(6) .5557(3)
 C(5) .9020(9) .5455(5) .5910(3)
 C(6) .8790(10)
     .6425(7) .5608(5)
 C(7) .4910(8) .4597(6) .8585(4)
 C(8) .5144(9) .5618(6) .8612(4)
 C(9) .6370(10)
     .5834(5) .9187(4)
 C(10) .6928(8) .5026(5) .9541(3)
 C(11) .6028(8) .4239(4) .9189(3)
 C(12) .6210(10)
      .3229(5) .9426(4)
 H(1) 1.0770 .5470 .6885
 H(2) 1.0593 .3721 .6858
 H(3) .8615 .3204 .5846
 H(4) .7410 .4601 .5118
 H(7) .4144 .4236 .8227
 H(8) .4530 .6064 .8276
 H(9) .6783 .6464 .9325
 H(10) .7806 .4996 .9967
 H(61) .9425 .6874 .5936
 H(62) .9314 .6448 .5178
 H(63) .7471 .6580 .5515
 H(121) .5447 .2832 .9090
 H(122) .7500 .3034 .9464
 H(123) .5788 .3169 .9875