#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/30/4063009.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_4063009
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0498246
_journal_year                    2004
_chemical_formula_sum            'C44 H36 F6 N6 Os P2'
_chemical_formula_weight         1014.93
_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                71.968(1)
_cell_angle_beta                 62.053(1)
_cell_angle_gamma                82.167(1)
_cell_formula_units_Z            1
_cell_length_a                   10.4469(5)
_cell_length_b                   10.5233(6)
_cell_length_c                   10.6829(6)
_cell_measurement_temperature    295(2)
_cell_volume                     986.46(9)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.708
_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               4063009
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
Os Os 1.0000 0.0000 0.0000 0.02140(5) Uani 1 2 d S . .
P1 P 0.80785(6) 0.04140(5) 0.21571(6) 0.02569(11) Uani 1 1 d . . .
N1 N 0.92646(18) 0.14785(17) -0.13332(19) 0.0263(3) Uani 1 1 d . . .
N2 N 0.84501(18) -0.09875(17) -0.00586(19) 0.0264(3) Uani 1 1 d . . .
N3 N 0.7870(2) -0.22296(18) 0.0640(2) 0.0305(4) Uani 1 1 d . . .
C1 C 0.9764(2) 0.2749(2) -0.1982(3) 0.0320(5) Uani 1 1 d . . .
H1A H 1.045(3) 0.297(3) -0.180(3) 0.038 Uiso 1 1 d . . .
C2 C 0.9280(3) 0.3673(2) -0.2892(3) 0.0425(6) Uani 1 1 d . . .
H2A H 0.9643 0.4543 -0.3314 0.051 Uiso 1 1 calc R . .
C3 C 0.8255(3) 0.3297(3) -0.3173(3) 0.0505(7) Uani 1 1 d . . .
H3A H 0.7908 0.3911 -0.3778 0.061 Uiso 1 1 calc R . .
C4 C 0.7748(3) 0.2002(3) -0.2549(3) 0.0443(6) Uani 1 1 d . . .
H4A H 0.7064 0.1729 -0.2741 0.053 Uiso 1 1 calc R . .
C5 C 0.8259(2) 0.1104(2) -0.1631(2) 0.0304(4) Uani 1 1 d . . .
C6 C 0.7807(2) -0.0279(2) -0.0898(2) 0.0302(4) Uani 1 1 d . . .
C7 C 0.6767(3) -0.1076(2) -0.0761(3) 0.0372(5) Uani 1 1 d . . .
H7A H 0.6156 -0.0857 -0.1207 0.045 Uiso 1 1 calc R . .
C8 C 0.6858(2) -0.2267(2) 0.0196(3) 0.0336(5) Uani 1 1 d . . .
C9 C 0.6060(3) -0.3530(3) 0.0703(3) 0.0448(6) Uani 1 1 d . . .
C10 C 0.6305(2) 0.0525(3) 0.2182(3) 0.0385(5) Uani 1 1 d . . .
H10A H 0.5578 0.0693 0.3086 0.058 Uiso 1 1 calc R . .
H10B H 0.6087 -0.0302 0.2114 0.058 Uiso 1 1 calc R . .
H10C H 0.6319 0.1241 0.1359 0.058 Uiso 1 1 calc R . .
C11 C 0.8026(2) 0.1922(2) 0.2683(2) 0.0306(4) Uani 1 1 d . . .
C12 C 0.8967(3) 0.2977(2) 0.1707(3) 0.0417(6) Uani 1 1 d . . .
H12A H 0.9696 0.2890 0.0805 0.050 Uiso 1 1 calc R . .
C13 C 0.8832(3) 0.4163(3) 0.2059(3) 0.0557(8) Uani 1 1 d . . .
H13A H 0.9484 0.4861 0.1401 0.067 Uiso 1 1 calc R . .
C14 C 0.7747(3) 0.4319(3) 0.3371(3) 0.0490(7) Uani 1 1 d . . .
H14A H 0.7646 0.5127 0.3590 0.059 Uiso 1 1 calc R . .
C15 C 0.6811(3) 0.3278(3) 0.4357(3) 0.0460(6) Uani 1 1 d . . .
H15A H 0.6075 0.3378 0.5250 0.055 Uiso 1 1 calc R . .
C16 C 0.6960(3) 0.2081(3) 0.4025(3) 0.0428(6) Uani 1 1 d . . .
H16A H 0.6336 0.1372 0.4711 0.051 Uiso 1 1 calc R . .
C17 C 0.7814(2) -0.0898(2) 0.3848(2) 0.0324(5) Uani 1 1 d . . .
C18 C 0.6912(3) -0.1986(2) 0.4360(3) 0.0441(6) Uani 1 1 d . . .
H18A H 0.6411 -0.2040 0.3852 0.053 Uiso 1 1 calc R . .
C19 C 0.6750(3) -0.2995(3) 0.5625(3) 0.0593(8) Uani 1 1 d . . .
H19A H 0.6119 -0.3707 0.5977 0.071 Uiso 1 1 calc R . .
C20 C 0.7512(4) -0.2947(3) 0.6356(3) 0.0657(10) Uani 1 1 d . . .
H20A H 0.7404 -0.3627 0.7200 0.079 Uiso 1 1 calc R . .
C21 C 0.8439(4) -0.1892(3) 0.5841(3) 0.0631(9) Uani 1 1 d . . .
H21A H 0.8967 -0.1866 0.6332 0.076 Uiso 1 1 calc R . .
C22 C 0.8593(3) -0.0868(3) 0.4596(3) 0.0465(6) Uani 1 1 d . . .
H22A H 0.9220 -0.0157 0.4258 0.056 Uiso 1 1 calc R . .
F1 F 0.5350(2) -0.39926(19) 0.2172(2) 0.0696(5) Uani 1 1 d . . .
F2 F 0.6914(2) -0.45155(18) 0.0235(2) 0.0718(5) Uani 1 1 d . . .
F3 F 0.5071(2) -0.33789(19) 0.0208(2) 0.0688(5) 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
Os N2 2.0735(16) . ?
Os N2 2.0735(16) 2_755 ?
Os N1 2.0898(17) . ?
Os N1 2.0898(17) 2_755 ?
Os P1 2.3616(5) 2_755 ?
Os P1 2.3616(5) . ?
P1 C17 1.826(2) . ?
P1 C11 1.827(2) . ?
P1 C10 1.829(2) . ?
N1 C1 1.349(3) . ?
N1 C5 1.366(3) . ?
N2 N3 1.349(2) . ?
N2 C6 1.351(3) . ?
N3 C8 1.355(3) . ?
C1 C2 1.374(3) . ?
C2 C3 1.372(4) . ?
C3 C4 1.373(4) . ?
C4 C5 1.385(3) . ?
C5 C6 1.446(3) . ?
C6 C7 1.388(3) . ?
C7 C8 1.375(3) . ?
C8 C9 1.479(3) . ?
C9 F2 1.332(3) . ?
C9 F1 1.336(3) . ?
C9 F3 1.337(3) . ?
C11 C12 1.381(3) . ?
C11 C16 1.387(3) . ?
C12 C13 1.383(3) . ?
C13 C14 1.370(4) . ?
C14 C15 1.370(4) . ?
C15 C16 1.381(3) . ?
C17 C18 1.387(3) . ?
C17 C22 1.390(3) . ?
C18 C19 1.389(4) . ?
C19 C20 1.365(5) . ?
C20 C21 1.374(5) . ?
C21 C22 1.384(4) . ?
