#------------------------------------------------------------------------------
#$Date: 2017-02-15 13:59:27 +0200 (Wed, 15 Feb 2017) $
#$Revision: 192160 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/06/23/4062309.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_4062309
loop_
_publ_author_name
'Haukka, Matti'
'Da Costa, Philippe'
'Luukkanen, Saija'
_publ_section_title
;
 Reactions of Bis(2-pyridyl)amine and Its Deprotonated Anion with
 Ruthenium and Osmium Carbonyl Complexes
;
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              5137
_journal_page_last               5140
_journal_paper_doi               10.1021/om030488n
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C26 H22 N6 O4 Os2'
_chemical_formula_weight         862.90
_chemical_name_common            Os2(dpa)2(CO)4(CH3)2
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                115.2540(10)
_cell_angle_beta                 96.8420(10)
_cell_angle_gamma                104.3250(10)
_cell_formula_units_Z            1
_cell_length_a                   8.0211(2)
_cell_length_b                   9.2464(2)
_cell_length_c                   9.8554(2)
_cell_measurement_temperature    150(2)
_cell_volume                     619.11(2)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    2.314
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4062309
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C2 C 0.0892(6) 0.4647(6) 0.2754(6) 0.0323(10) Uani 1 1 d . . .
C1 C 0.1794(6) 0.4310(6) 0.0238(5) 0.0270(10) Uani 1 1 d . . .
C10 C 0.2056(6) 0.2350(6) 0.4046(5) 0.0260(9) Uani 1 1 d . . .
H10 H 0.2342 0.3547 0.4578 0.031 Uiso 1 1 calc R . .
C11 C 0.2042(6) 0.1528(6) 0.4907(5) 0.0291(10) Uani 1 1 d . . .
H11 H 0.2298 0.2132 0.6007 0.035 Uiso 1 1 calc R . .
C12 C 0.1638(6) -0.0235(6) 0.4127(5) 0.0267(9) Uani 1 1 d . . .
H12 H 0.1626 -0.0854 0.4688 0.032 Uiso 1 1 calc R . .
C13 C 0.1263(5) -0.1046(5) 0.2543(5) 0.0224(8) Uani 1 1 d . . .
H13 H 0.0958 -0.2244 0.2001 0.027 Uiso 1 1 calc R . .
C14 C -0.1321(5) 0.0133(5) -0.1695(5) 0.0188(8) Uani 1 1 d . . .
C15 C 0.2117(5) -0.0418(5) -0.0650(4) 0.0193(8) Uani 1 1 d . . .
C16 C 0.2702(6) -0.1564(6) -0.1802(5) 0.0268(9) Uani 1 1 d . . .
H16 H 0.2320 -0.2727 -0.2054 0.032 Uiso 1 1 calc R . .
C17 C 0.3819(6) -0.1019(6) -0.2564(5) 0.0321(10) Uani 1 1 d . . .
H17 H 0.4205 -0.1795 -0.3349 0.039 Uiso 1 1 calc R . .
C18 C 0.4381(6) 0.0705(6) -0.2161(5) 0.0312(10) Uani 1 1 d . . .
H18 H 0.5159 0.1121 -0.2665 0.037 Uiso 1 1 calc R . .
C19 C 0.3797(6) 0.1761(6) -0.1047(5) 0.0265(9) Uani 1 1 d . . .
H19 H 0.4207 0.2932 -0.0764 0.032 Uiso 1 1 calc R . .
N1 N 0.1688(4) 0.1570(4) 0.2474(4) 0.0216(7) Uani 1 1 d . . .
N2 N -0.1033(4) 0.1033(4) -0.0118(4) 0.0183(7) Uani 1 1 d . . .
N3 N 0.2643(4) 0.1240(4) -0.0299(4) 0.0208(7) Uani 1 1 d . . .
C20 C 0.4313(6) 0.4526(6) 0.2573(6) 0.0358(11) Uani 1 1 d . . .
H20A H 0.4414 0.5726 0.3102 0.054 Uiso 1 1 calc R . .
H20B H 0.5096 0.4360 0.1869 0.054 Uiso 1 1 calc R . .
H20C H 0.4662 0.4179 0.3344 0.054 Uiso 1 1 calc R . .
O2 O 0.0538(5) 0.5711(4) 0.3709(4) 0.0438(9) Uani 1 1 d . . .
O1 O 0.2012(4) 0.5155(4) -0.0363(4) 0.0375(8) Uani 1 1 d . . .
Os1 Os 0.161840(18) 0.302755(17) 0.127178(17) 0.01966(7) Uani 1 1 d . . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C2 O2 1.160(6) . ?
C2 Os1 1.867(5) . ?
C1 O1 1.160(6) . ?
C1 Os1 1.856(5) . ?
C10 N1 1.356(5) . ?
C10 C11 1.359(6) . ?
C10 H10 0.9500 . ?
C11 C12 1.401(6) . ?
C11 H11 0.9500 . ?
C12 C13 1.366(6) . ?
C12 H12 0.9500 . ?
C13 C14 1.417(6) 2 ?
C13 H13 0.9500 . ?
C14 N1 1.357(5) 2 ?
C14 N2 1.370(5) . ?
C14 C13 1.417(6) 2 ?
C15 N3 1.357(5) . ?
C15 N2 1.389(5) 2 ?
C15 C16 1.407(6) . ?
C16 C17 1.371(6) . ?
C16 H16 0.9500 . ?
C17 C18 1.402(7) . ?
C17 H17 0.9500 . ?
C18 C19 1.346(6) . ?
C18 H18 0.9500 . ?
C19 N3 1.370(5) . ?
C19 H19 0.9500 . ?
N1 C14 1.357(5) 2 ?
N1 Os1 2.146(4) . ?
N2 C15 1.389(5) 2 ?
N2 Os1 2.239(3) . ?
N3 Os1 2.144(4) . ?
C20 Os1 2.139(4) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
