#------------------------------------------------------------------------------
#$Date: 2016-03-21 06:30:19 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178515 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/18/4061859.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_4061859
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_moiety         'C25 H15 N O11 Os4'
_chemical_formula_sum            'C25 H15 N O11 Os4'
_chemical_formula_weight         1266.19
_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                 110.38(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.668(2)
_cell_length_b                   25.949(7)
_cell_length_c                   12.453(3)
_cell_measurement_temperature    298.2
_cell_volume                     2928(1)
_diffrn_ambient_temperature      298.2
_exptl_crystal_density_diffrn    2.872
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_site_thermal_displace_type' tag value 'Uij' was replaced with
'Uani' value 56 times.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4061859
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
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_calc_attached_atom
Os(1) 0.3095(2) 0.37368(5) 0.4828(1) 0.0504(5) Uani ? ?
Os(2) 0.4547(2) 0.30270(5) 0.6503(1) 0.0450(4) Uani ? ?
Os(3) 0.1692(2) 0.34576(5) 0.6467(1) 0.0450(4) Uani ? ?
Os(4) 0.4115(2) 0.41198(5) 0.7026(1) 0.0420(4) Uani ? ?
O(1) 0.103(4) 0.460(1) 0.375(2) 0.12(1) Uani ? ?
O(2) 0.537(4) 0.399(1) 0.374(3) 0.14(2) Uani ? ?
O(3) 0.172(4) 0.3033(10) 0.282(2) 0.12(1) Uani ? ?
O(4) 0.723(4) 0.322(1) 0.586(3) 0.12(1) Uani ? ?
O(5) 0.336(4) 0.2148(8) 0.478(2) 0.12(1) Uani ? ?
O(6) 0.600(4) 0.232(1) 0.855(3) 0.12(1) Uani ? ?
O(7) -0.054(4) 0.431(1) 0.570(2) 0.09(1) Uani ? ?
O(8) -0.027(4) 0.289(1) 0.432(3) 0.11(1) Uani ? ?
O(9) -0.002(3) 0.295(1) 0.785(2) 0.10(1) Uani ? ?
O(10) 0.622(4) 0.4590(10) 0.593(2) 0.10(1) Uani ? ?
O(11) 0.255(3) 0.5153(8) 0.672(2) 0.08(1) Uani ? ?
N(1) 0.306(3) 0.3803(9) 0.802(2) 0.051(9) Uani ? ?
C(1) 0.178(4) 0.429(1) 0.413(3) 0.057(9) Uani ? ?
C(2) 0.449(5) 0.390(1) 0.409(3) 0.062(10) Uani ? ?
C(3) 0.222(5) 0.327(2) 0.362(4) 0.08(1) Uani ? ?
C(4) 0.625(5) 0.315(2) 0.614(4) 0.08(1) Uani ? ?
C(5) 0.377(4) 0.247(1) 0.542(3) 0.056(9) Uani ? ?
C(6) 0.540(4) 0.258(1) 0.776(3) 0.058(9) Uani ? ?
C(7) 0.039(4) 0.400(2) 0.601(3) 0.06(1) Uani ? ?
C(8) 0.051(5) 0.311(1) 0.514(4) 0.08(1) Uani ? ?
C(9) 0.063(4) 0.312(1) 0.738(3) 0.045(8) Uani ? ?
C(10) 0.532(5) 0.443(1) 0.622(3) 0.06(1) Uani ? ?
C(11) 0.308(4) 0.474(1) 0.683(3) 0.06(1) Uani ? ?
C(12) 0.731(5) 0.367(1) 0.952(3) 0.06(1) Uani ? ?
C(13) 0.782(4) 0.333(1) 1.051(3) 0.07(1) Uani ? ?
C(14) 0.738(6) 0.341(2) 1.144(4) 0.09(2) Uani ? ?
C(15) 0.642(6) 0.377(2) 1.133(3) 0.09(2) Uani ? ?
C(16) 0.583(5) 0.408(1) 1.042(3) 0.08(2) Uani ? ?
C(17) 0.640(4) 0.404(1) 0.951(2) 0.05(1) Uani ? ?
C(18) 0.585(5) 0.442(1) 0.846(3) 0.07(1) Uani ? ?
C(19) 0.628(4) 0.490(1) 0.849(2) 0.05(1) Uani ? ?
C(20) 0.750(4) 0.518(1) 0.948(3) 0.05(1) Uani ? ?
C(21) 0.845(4) 0.496(1) 1.060(3) 0.07(1) Uani ? ?
C(22) 0.948(5) 0.528(1) 1.130(3) 0.07(2) Uani ? ?
C(23) 0.973(4) 0.576(2) 1.107(3) 0.07(1) Uani ? ?
C(24) 0.892(6) 0.595(1) 1.006(4) 0.09(2) Uani ? ?
C(25) 0.780(6) 0.569(2) 0.922(4) 0.09(2) Uani ? ?
H(1) 0.7636 0.3620 0.8892 0.0780 Uani ? ?
H(2) 0.8452 0.3044 1.0515 0.0825 Uani ? ?
H(3) 0.7778 0.3220 1.2125 0.1071 Uani ? ?
H(4) 0.6089 0.3813 1.1959 0.1103 Uani ? ?
H(5) 0.5068 0.4321 1.0388 0.0901 Uani ? ?
H(6) 0.5793 0.5105 0.7832 0.0612 Uani ? ?
H(7) 0.8324 0.4617 1.0813 0.0826 Uani ? ?
H(8) 1.0079 0.5141 1.2026 0.0880 Uani ? ?
H(9) 1.0466 0.5958 1.1605 0.0825 Uani ? ?
H(10) 0.9118 0.6296 0.9896 0.1035 Uani ? ?
H(11) 0.7257 0.5848 0.8507 0.1029 Uani ? ?
H(12) 0.2577 0.4040 0.8353 0.0609 Uani ? ?
H(13) 0.3629 0.3569 0.8590 0.0609 Uani ? ?
H(14) 0.5449 0.3560 0.7409 0.0608 Uani ? ?
H(15) 0.2857 0.2870 0.6788 0.0608 Uani ? ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Os(1) Os(2) 2.770(2) ? ? yes
Os(1) Os(3) 2.908(2) ? ? yes
Os(1) Os(4) 2.752(2) ? ? yes
Os(1) C(1) 1.91(4) ? ? yes
Os(1) C(2) 1.92(4) ? ? yes
Os(1) C(3) 1.89(4) ? ? yes
Os(2) Os(3) 2.964(2) ? ? yes
Os(2) Os(4) 2.972(2) ? ? yes
Os(2) C(4) 1.88(5) ? ? yes
Os(2) C(5) 1.93(4) ? ? yes
Os(2) C(6) 1.90(4) ? ? yes
Os(3) Os(4) 2.791(2) ? ? yes
Os(3) N(1) 2.12(2) ? ? yes
Os(3) C(7) 1.85(4) ? ? yes
Os(3) C(8) 1.89(4) ? ? yes
Os(3) C(9) 1.99(3) ? ? yes
Os(4) N(1) 2.03(2) ? ? yes
Os(4) C(10) 1.95(4) ? ? yes
Os(4) C(11) 1.86(4) ? ? yes
Os(4) C(18) 2.13(4) ? ? yes
O(1) C(1) 1.08(4) ? ? yes
O(2) C(2) 1.11(4) ? ? yes
O(3) C(3) 1.12(4) ? ? yes
O(4) C(4) 1.13(5) ? ? yes
O(5) C(5) 1.13(4) ? ? yes
O(6) C(6) 1.16(4) ? ? yes
O(7) C(7) 1.16(4) ? ? yes
O(8) C(8) 1.18(4) ? ? yes
O(9) C(9) 1.09(3) ? ? yes
O(10) C(10) 1.13(4) ? ? yes
O(11) C(11) 1.18(4) ? ? yes
C(12) C(13) 1.46(4) ? ? yes
C(12) C(17) 1.30(4) ? ? yes
C(13) C(14) 1.38(5) ? ? yes
C(14) C(15) 1.28(6) ? ? yes
C(15) C(16) 1.36(5) ? ? yes
C(16) C(17) 1.43(4) ? ? yes
C(17) C(18) 1.58(4) ? ? yes
C(18) C(19) 1.31(4) ? ? yes
C(19) C(20) 1.56(5) ? ? yes
C(20) C(21) 1.49(5) ? ? yes
C(20) C(25) 1.42(4) ? ? yes
C(21) C(22) 1.35(5) ? ? yes
C(22) C(23) 1.32(5) ? ? yes
C(23) C(24) 1.33(5) ? ? yes
C(24) C(25) 1.39(6) ? ? yes
