#------------------------------------------------------------------------------
#$Date: 2009-11-18 14:56:34 +0000 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: svn://www.crystallography.net/cod/cif/2/2100832.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2100832
loop_
_publ_author_name
'Kubota, M.'
'Ohba, S.'
_publ_section_title
;
 Nitro-nitrito linkage photoisomerization in crystals of
 pentaamminenitrocobalt(III) dichloride
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              627
_journal_page_last               632
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'Cl2 Co H15 N6 O2'
_[local]_cod_chemical_formula_sum_orig 'H15 Cl2 Co1 N6 O2'
_chemical_formula_weight         261.0
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P 21nb'
_cell_formula_units_Z            4
_cell_length_a                   10.349(2)
_cell_length_b                   13.228(3)
_cell_length_c                   6.864(2)
_cell_volume                     939.7(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_crystal_density_diffrn    1.844
_exptl_crystal_F_000             536
_[local]_cod_data_source_file    as0597.cif
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Co 1.25 .10887(7) .18700(10) .0229(3)
Cl(1) .0031(4) .3555(3) .1628(3) .0337(9)
Cl(2) .5050(4) .3576(3) .1644(3) .0338(9)
N(2) .2490(10) .1999(6) -.0372(9) .048(2)
N(3) .2490(10) .2272(5) .3600(10) .036(2)
N(4) .2580(10) .0171(5) .4120(10) .040(2)
N(5) .0628(9) .1112(6) .1800(10) .030(3)
N(6) .437(2) .1013(8) .185(2) .052(4)
O(1) .266(2) -.1082(4) -.1956(9) .037(3)
N(1) .235(2) -.0312(8) -.112(2) .078(6)
O(2) .230(2) -.0130(10) .036(2) .071(4)
N(7) .252 .002 .000 .15(3)
O(3) .319 .012 -.125 .15(3)
O(4) .199 -.074 .016 .15(3)
H(21) .2211 .1860 -.1170 .060
H(22) .3404 .2115 -.1372 .060
H(23) .2099 .2615 -.0224 .060
H(31) .3331 .2447 .3977 .060
H(32) .2098 .2844 .2894 .060
H(33) .1918 .2131 .4797 .060
H(41) .3511 .0159 .4168 .060
H(42) .2054 -.0383 .5007 .060
H(43) .2281 -.0395 .4174 .060
H(51) .0348 .1132 .2837 .060
H(52) .0353 .1536 .1326 .060
H(53) .0433 .0376 .1943 .060
H(61) .4662 .1502 .2789 .060
H(62) .4837 .1190 .0518 .060
H(63) .4597 .0356 .2215 .060
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Co N(2) 1.954(7)
Co N(3) 1.965(7)
Co N(4) 1.966(7)
Co N(5) 1.938(9)
Co N(6) 1.94(2)
Co O(2) 1.927(14)
Co N(7) 1.906
N(1) O(1) 1.210(10)
N(1) O(2) 1.05(2)
N(7) O(3) 1.11
N(7) O(4) 1.15
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
Co O(2) N(1) 135.0(10)
O(2) N(1) O(1) 132.0(10)
Co N(7) O(3) 116
Co N(7) O(4) 125
O(3) N(7) O(4) 118