#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2002029.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2002029
_journal_name_full 'Acta Crystallographica, Section C'
_journal_year 1993
_journal_volume C49
_journal_page_first 13
_journal_page_last 16
loop_
_publ_author_name
'Searle, G.H.'
'Tiekink, E.R.T.'
'Atkinson, I.M.'
'Keene, F.R.'
_chemical_formula_moiety 'C7 H26 Co1 N6,3(Cl1 O4),H2 O1'
_chemical_formula_sum 'C7 H28 Cl3 Co1 N6 O13'
_chemical_formula_weight 569.6
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 1 21/n 1'
_symmetry_space_group_name_Hall '-P 2yn'
_cell_length_a 10.2800(10)
_cell_length_b 13.905(2)
_cell_length_c 14.533(2)
_cell_angle_alpha  90
_cell_angle_beta 90.300(10)
_cell_angle_gamma  90
_cell_volume 2077(2)
_cell_formula_units_Z 4
_exptl_crystal_density_diffrn 1.821
_exptl_crystal_density_meas ?
_exptl_crystal_F_000 1176
_exptl_absorpt_coefficient_mu 1.284
_diffrn_radiation_type Mo
_diffrn_radiation_wavelength 0.7107
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Co -.01083(7) .25098(6) .70115(5)
N(1) -.1533(5) .2664(3) .7897(4)
N(2) .0021(5) .3944(3) .7048(4)
N(3) -.1353(5) .2586(4) .5974(3)
N(4) .1238(5) .2397(4) .6042(4)
N(5) .1163(5) .2356(3) .8017(4)
N(6) -.0242(5) .1095(3) .7066(4)
C(1) -.1953(6) .3685(5) .7938(5)
C(2) -.0716(6) .4292(5) .7867(5)
C(3) .1301(6) .4428(5) .7015(6)
C(4) -.0661(7) .2741(6) .5091(5)
C(5) .0598(8) .2235(7) .5129(6)
C(6) .1078(7) .1362(5) .8389(5)
C(7) .0836(7) .0691(5) .7615(6)
Cl(1) .2598(2) .4732(2) .43460(10)
O(1) .2777(8) .4362(6) .3459(5)
O(2) .1297(7) .4940(7) .4490(6)
O(3) .3127(8) .4154(7) .5054(6)
O(4) .3175(10) .5652(6) .4322(7)
Cl(2) .2508(3) .47070(10)
-.0237(2)
O(5) .2749(7) .4514(5) .0682(4)
O(6) .2225(8) .3900(6) -.0735(5)
O(7) .2287(12) .5522(8) -.0498(8)
O(8) .3948(13) .4837(12) -.0587(13)
O(8') .0956(12) .4952(11) -.0085(10)
Cl(3) -.0201(2) .25150(10)
 .22820(10)
O(9) 0.0875(6) .2892(7) .1868(6)
O(10) -.0949(9) .1979(8) .1648(7)
O(11) -.1086(8) .3197(6) .2558(10)
O(12) .0091(10) .1791(8) .2973(7)
O(12') 0.033(2)   .277(3)   .3002(14)
O(w1) .4565(7) .2204(5) .4761(4)
H(n11) -.1236(5) .2464(3) .8502(4)
H(n12) -.2263(5) .2267(3) .7708(4)
H(n2) -.0341(5) .4126(3) .6455(4)
H(n31) -.1947(5) .3117(4) .6078(3)
H(n32) -.1841(5) .1990(4) .5938(3)
H(n41) .1805(5) .1859(4) .6184(4)
H(n42) .1745(5) .2985(4) .6021(4)
H(n51) .0976(5) .2816(3) .8501(4)
H(n52) .2033(5) .2468(3) .7785(4)
H(n61) -.0207(5) .0837(3) .6447(4)
H(n62) -.1062(5) .0918(3) .7347(4)
H(11) -.2532(6) .3829(5) .7427(5)
H(12) -.2394(6) .3815(5) .8513(5)
H(21) -.0192(6) .4211(5) .8418(5)
H(22) -.0939(6) .4965(5) .7793(5)
H(31) .1780(6) .4205(5) .6483(6)
H(32) .1788(6) .4279(5) .7571(6)
H(33) .1176(6) .5118(5) .6972(6)
H(41) -.0514(7) .3423(6) .4999(5)
H(42) -.1182(7) .2490(6) .4587(5)
H(51) .0454(8) .1552(7) .5041(6)
H(52) .1158(8) .2476(7) .4645(6)
H(61) .0364(7) .1322(5) .8821(5)
H(62) .1885(7) .1195(5) .8698(5)
H(71) .0602(7) .0061(5) .7847(6)
H(72) .1611(7) .0640(5) .7241(6)