data_2000206
_journal_name_full 'Acta Cryst. C'
_journal_year   1991
_journal_volume  47
_journal_page_first  2037
_journal_page_last  2040
loop_
_publ_author_name
 'Oberhausen, K.J.'
 'Easley, W.D.'
 'Richardson, J.F.'
 'Buchanan, R.M.'
_chemical_formula_sum  'C14 H21 Cu1 N7 Cl2 O8'
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 1 21/n 1'
_symmetry_space_group_name_Hall  ?
_cell_length_a  9.1710(10)
_cell_length_b  8.9990(10)
_cell_length_c  26.677(3)
_cell_angle_alpha  90
_cell_angle_beta  94.080(10)
_cell_angle_gamma  90
_cell_volume  2196.1(5)
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.66
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  1124
_exptl_absorpt_coefficient_mu  1.3
_diffrn_radiation_type  Mo
_diffrn_radiation_wavelength  0.71093
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
 Cu .11147(5) .23467(6) .87527(2)
 Cl(1) -.18690(10)  .00450(10)  .99258(5)
 Cl(1) .48340(10)    .3477(2) .83532(4)
 O(1) -.3020(4) .0316(5) .95550(10)
 O(2) -.0604(7) -.0236(9) .9706(3)
 O(3) -.1196(8) .1280(10)   .9021(3)
 O(4) -.1870(10)   -.1170(10)   .9018(4)
 O(5) -.2820(10)   -.0110(10)   .8741(3)
 O(6) -.1220(10)   -.1242(9) .9317(4)
 O(7) -.1153(7) .1328(8) .9199(3)
 O(8) .4670(10)  .2306(8) .8011(2)
 O(9) .5230(10)  .3560(10)    .8870(3)
 O(10) .3345(7) .3820(10)   .8335(4)
 O(11) .5589(7) .4511(8) .8112(3)
 O(12) .5300(10)   .1970(10)  .8355(4)
 O(13) .3742(9) .3610(10)   .8660(3)
 O(14) .6170(10)   .394(2) .8565(5)
 O(15) .465(2) .468(2) .8009(4)
 N(1) .1035(4) .4162(4) .91600(10)
 N(2) .1899(4) .5427(4) .9825(2)
 N(3) .1711(4) .0409(4) .85060(10)
 N(4) .3089(4) -.1573(4) .8621(2)
 N(5) .2225(4) .1577(4) .94020(10)
 N(6) -.0025(4) .2985(4) .81400(10)
 N(7) -.1603(4) .2893(5) .74830(10)
 C(1) .1914(4) .4139(5) .9571(2)
 C(2) .0414(5) .5584(6) .9150(2)
 C(3) .0944(5) .6338(6) .9551(2)
 C(4) .2729(6) .5760(7) 1.0297(2)
 C(5) .2698(4) -.0269(5) .8811(2)
 C(6) .1450(5) -.0519(6) .8095(2)
 C(7) .2311(6) -.1727(6) .8164(2)
 C(8) .4168(7) -.2611(6) .8831(3)
 C(9) .2823(5) .2819(5) .9707(2)
 C(10) .3295(5) .0423(5) .9286(2)
 C(11) -.1234(5) .2371(6) .7940(2)
 C(12) .0384(5) .3982(6) .7790(2)
 C(13) -.0587(6) .3927(6) .7385(2)
 C(14) -.2844(5) .2403(8) .7150(2)
 H2 -.027 .599 .888
 H3 .072 .737 .965
 H4A .313 .666 1.035
 H4B .360 .559 1.022
 H4C .230 .533 1.052
 H5N .625 .389 .463
 H6 .076 -.027 .780
 H7 .232 -.255 .791
 H8A .396 -.359 .881
 H8B .500 -.221 .871
 H8C .438 -.250 .918
 H9B .278 .257 1.007
 H9A .385 .297 .965
 H10B .426 .087 .924
 H10A .341 -.030 .956
 H11 -.181 .162 .811
 H12 .128 .462 .782
 H13 -.059 .454 .708
 H14A -.375 .223 .740
 H14B -.230 .195 .684
 H14C -.332 .307 .695