data_2000309
_journal_name_full 'Acta Cryst. C'
_journal_year   1991
_journal_volume  47
_journal_page_first  1312
_journal_page_last  1313
loop_
_publ_author_name
 'Farrugia, L.J.'
 'Peacock, R.D.'
_chemical_formula_sum  'C15 H35 Br2 N3 Ni1 O4'
_symmetry_cell_setting  orthorhombic
_symmetry_space_group_name_H-M  'P212121'
_symmetry_space_group_name_Hall  ?
_cell_length_a  9.7046(9)
_cell_length_b  13.742(3)
_cell_length_c  16.2850(10)
_cell_angle_alpha  90
_cell_angle_beta  90
_cell_angle_gamma  90
_cell_volume  2171.8(5)
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.65
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  1104
_exptl_absorpt_coefficient_mu  4.565
_diffrn_radiation_type  mo
_diffrn_radiation_wavelength  0.71069
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 Ni .61228(7) .24414(6) .75593(5) .020
 Br1 .69545(10) .15723(8) .35046(6) .059
 Br2 .07062(11) .08494(7) 1.00001(6) .069
 O1 .7537(4) .3577(3) .7654(3) .030
 O2 .5170(5) .3087(3) .6558(3) .032
 O3 .4801(5) .3090(3) .8390(3) .029
 O4 .8884(6) .4287(6) .6398(4) .106
 N1 .7535(6) .1793(4) .8328(3) .029
 N2 .6960(6) .1612(4) .6628(3) .030
 N3 .4865(6) .1267(4) .7804(4) .034
 C10 .8683(7) .3375(6) .8187(5) .038
 C11 .9095(9) .4294(7) .8635(6) .066
 C12 .8232(7) .2608(6) .8756(4) .035
 C13 .8479(8) .1187(6) .7826(5) .036
 C14 .8414(8) .1426(6) .6894(5) .040
 C20 .5524(8) .2668(6) .5762(4) .040
 C21 .5555(9) .3434(7) .5127(4) .059
 C22 .6884(8) .2194(6) .5869(4) .042
 C23 .6186(9) .0685(5) .6577(5) .048
 C24 .4742(9) .0776(6) .6973(5) .051
 C30 .3733(7) .2421(6) .8701(4) .037
 C31 .2431(8) .2985(6) .8856(5) .048
 C32 .3561(7) .1654(6) .8087(5) .038
 C33 .5550(8) .0660(5) .8419(5) .048
 C34 .6679(8) .1195(5) .8901(5) .039
 H1 .80159 .38592 .70373 .050
 H2 .43633 .31995 .65313 .050
 H3 .52231 .32913 .89052 .050
 H4 .89826 .43507 .58977 .050
 H5 .97864 .42478 .64216 .050
 H10 .94862 .31467 .78537 .050
 H11A .98952 .41533 .90033 .050
 H11B .82926 .45228 .89680 .050
 H11C .93504 .48124 .82314 .050
 H12A .90328 .23510 .90759 .050
 H12B .75605 .29133 .91445 .050
 H13A .82498 .04866 .79204 .050
 H13B .94428 .13119 .80158 .050
 H14A .90035 .20017 .67604 .050
 H14B .87612 .08484 .65823 .050
 H20 .48272 .21628 .56110 .050
 H21A .58062 .31333 .45882 .050
 H21B .62518 .39396 .52782 .050
 H21C .46279 .37477 .50859 .050
 H22A .70547 .17555 .53897 .050
 H22B .76087 .27110 .58801 .050
 H23A .67009 .01639 .68760 .050
 H23B .60950 .04957 .59866 .050
 H24A .41613 .11970 .66110 .050
 H24B .42938 .01238 .71273 .050
 H30 .40495 .21222 .92280 .050
 H31A .17090 .25304 .90677 .050
 H31B .21143 .32834 .83288 .050
 H31C .25975 .35135 .92664 .050
 H32A .30199 .11096 .83352 .050
 H32B .30403 .19220 .76075 .050
 H33A .59875 .00976 .81301 .050
 H33B .48466 .04089 .88145 .050
 H34A .62347 .16302 .93161 .050
 H34B .72717 .07103 .91928 .050