#------------------------------------------------------------------------------
#$Date: 2011-09-17 21:27:16 +0100 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005046.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_2005046
_publ_section_title
;
Les Compos\'es de la Metformine avec les Ions Co^II^, Cu^II^ et Ni^II^
;
_journal_name_full               'Acta Crystallographica C'
_journal_page_first              1430
_journal_page_last               1436
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'C4 H12 Cl3 Co N5'
_chemical_formula_weight         295.47
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 112.97(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.502(5)
_cell_length_b                   7.533(2)
_cell_length_c                   13.040(4)
_cell_measurement_temperature    295(2)
_cell_volume                     1130.7
_exptl_crystal_density_diffrn    1.74
_exptl_crystal_density_meas      1.71(2)
_[local]_cod_cif_authors_sg_H-M  'P 21/c'
_[local]_cod_chemical_formula_sum_orig 'C4 H12 Cl3 Co N5 '
_cod_depositor_comments
;
The following automatic conversions were performed:

'_cell_measurement_temperature' value 'Temp\'erature ambiante' was
changed to '295(2)' - the room/ambient temperature average [293;298]
in Kelvins(K) was taken.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               2005046
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/2-y,1/2+z
-x,-y,-z
-x,1/2+y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Co 0.7176(1) 0.1389(1) 0.6989(1) 0.0290(1)
Cl(1) 0.8633(1) 0.1537(2) 0.8697(1) 0.0400(1)
Cl(2) 0.5385(1) 0.0992(2) 0.6972(1) 0.0400(1)
Cl(3) 0.7574(1) -0.0750(2) 0.5979(1) 0.0500(1)
N(1) 0.5884(4) 0.2582(5) 0.4510(3) 0.0430(4)
N(2) 0.6316(4) 0.5524(5) 0.4608(3) 0.0400(4)
N(3) 0.7170(3) 0.3711(5) 0.6174(3) 0.0270(3)
N(4) 0.8843(3) 0.5032(6) 0.6174(3) 0.0390(4)
N(5) 0.8268(3) 0.5571(5) 0.7609(3) 0.0320(3)
C(1) 0.6476(4) 0.3949(6) 0.5090(4) 0.0300(4)
C(2) 0.8094(4) 0.4838(6) 0.6646(3) 0.0260(4)
C(51) 0.7358(5) 0.5726(8) 0.8026(4) 0.0550(6)
C(52) 0.9365(5) 0.6437(8) 0.8263(4) 0.0520(6)
H(11) 0.5946 0.1578 0.4712 0.0659
H(12) 0.5369 0.2614 0.3804 0.0659
H(21) 0.6460 0.6394 0.4960 0.0659
H(22) 0.5937 0.5633 0.3950 0.0659
H(41) 0.9464 0.5646 0.6415 0.0659
H(42) 0.8730 0.4331 0.5601 0.0659
H(511) 0.6658 0.4938 0.7560 0.0659
H(512) 0.7222 0.6977 0.8125 0.0659
H(513) 0.7597 0.5116 0.8774 0.0659
H(521) 0.9433 0.6590 0.9019 0.0659
H(522) 0.9360 0.7577 0.8108 0.0659
H(523) 1.0066 0.5737 0.8237 0.0659