#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/05/4060590.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_4060590
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050684p
_journal_year                    2006
_chemical_formula_sum            'C32 H32 N2 O4 Ru2'
_chemical_formula_weight         710.74
_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                104.075(5)
_cell_angle_beta                 100.816(5)
_cell_angle_gamma                107.401(5)
_cell_formula_units_Z            1
_cell_length_a                   7.786(3)
_cell_length_b                   8.564(3)
_cell_length_c                   12.065(4)
_cell_measurement_temperature    293(2)
_cell_volume                     714.6(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.651
_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               4060590
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
Ru1 Ru 0.87499(4) 0.51162(4) 0.06553(2) 0.02503(14) Uani 1 1 d . . .
O1 O 0.8773(5) 0.8504(4) 0.0358(3) 0.0516(8) Uani 1 1 d . . .
O2 O 1.2855(4) 0.6561(4) 0.2001(2) 0.0482(8) Uani 1 1 d . . .
N1 N 0.7891(5) 0.7116(5) 0.6241(3) 0.0430(9) Uani 1 1 d . . .
C1 C 0.8819(5) 0.7234(5) 0.0481(3) 0.0316(8) Uani 1 1 d . . .
C2 C 1.1605(5) 0.5893(5) 0.1133(3) 0.0307(8) Uani 1 1 d . . .
C3 C 0.7801(5) 0.5085(5) 0.2325(3) 0.0264(7) Uani 1 1 d . . .
C4 C 0.8702(5) 0.3879(5) 0.2148(3) 0.0324(8) Uani 1 1 d . . .
H4 H 0.9774 0.3935 0.2674 0.039 Uiso 1 1 calc R . .
C5 C 0.7712(6) 0.2566(5) 0.1037(4) 0.0370(9) Uani 1 1 d . . .
H5 H 0.8045 0.1641 0.0703 0.044 Uiso 1 1 calc R . .
C6 C 0.6136(6) 0.2909(5) 0.0528(3) 0.0374(9) Uani 1 1 d . . .
H6 H 0.5223 0.2229 -0.0186 0.045 Uiso 1 1 calc R . .
C7 C 0.6192(5) 0.4472(5) 0.1297(3) 0.0318(8) Uani 1 1 d . . .
H7 H 0.5338 0.5015 0.1163 0.038 Uiso 1 1 calc R . .
C8 C 0.8210(5) 0.6566(5) 0.3450(3) 0.0289(8) Uani 1 1 d . . .
C9 C 0.6765(6) 0.5809(5) 0.4097(3) 0.0340(9) Uani 1 1 d . . .
H9A H 0.5520 0.5363 0.3546 0.041 Uiso 1 1 calc R . .
H9B H 0.7003 0.4837 0.4280 0.041 Uiso 1 1 calc R . .
C10 C 0.6754(5) 0.7027(5) 0.5231(3) 0.0308(8) Uani 1 1 d . . .
C11 C 0.5527(6) 0.7914(6) 0.5218(4) 0.0421(10) Uani 1 1 d . . .
H11 H 0.4738 0.7814 0.4502 0.050 Uiso 1 1 calc R . .
C12 C 0.5492(7) 0.8945(6) 0.6280(5) 0.0532(12) Uani 1 1 d . . .
H12 H 0.4688 0.9559 0.6290 0.064 Uiso 1 1 calc R . .
C13 C 0.6658(8) 0.9051(6) 0.7321(4) 0.0541(12) Uani 1 1 d . . .
H13 H 0.6657 0.9728 0.8051 0.065 Uiso 1 1 calc R . .
C14 C 0.7817(7) 0.8140(7) 0.7255(4) 0.0511(12) Uani 1 1 d . . .
H14 H 0.8618 0.8232 0.7964 0.061 Uiso 1 1 calc R . .
C15 C 1.0227(6) 0.7099(6) 0.4224(4) 0.0468(11) Uani 1 1 d . . .
H15A H 1.0408 0.6114 0.4398 0.070 Uiso 1 1 calc R . .
H15B H 1.0439 0.7981 0.4954 0.070 Uiso 1 1 calc R . .
H15C H 1.1093 0.7534 0.3803 0.070 Uiso 1 1 calc R . .
C16 C 0.7916(7) 0.8122(5) 0.3159(4) 0.0442(11) Uani 1 1 d . . .
H16A H 0.8792 0.8559 0.2745 0.066 Uiso 1 1 calc R . .
H16B H 0.8110 0.9007 0.3884 0.066 Uiso 1 1 calc R . .
H16C H 0.6660 0.7779 0.2666 0.066 Uiso 1 1 calc R . .
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
Ru1 C1 1.862(4) . ?
Ru1 C2 2.041(4) . ?
Ru1 C2 2.051(4) 2_765 ?
Ru1 C7 2.236(4) . ?
Ru1 C6 2.276(4) . ?
Ru1 C3 2.276(3) . ?
Ru1 C5 2.282(4) . ?
Ru1 C4 2.301(4) . ?
Ru1 Ru1 2.7503(8) 2_765 ?
O1 C1 1.143(5) . ?
O2 C2 1.168(5) . ?
N1 C10 1.336(5) . ?
N1 C14 1.343(6) . ?
C2 Ru1 2.051(4) 2_765 ?
C3 C4 1.410(5) . ?
C3 C7 1.446(5) . ?
C3 C8 1.521(5) . ?
C4 C5 1.420(6) . ?
C4 H4 0.9300 . ?
C5 C6 1.411(6) . ?
C5 H5 0.9300 . ?
C6 C7 1.414(6) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C8 C16 1.527(6) . ?
C8 C15 1.536(5) . ?
C8 C9 1.561(5) . ?
C9 C10 1.509(5) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 C11 1.387(6) . ?
C11 C12 1.378(6) . ?
C11 H11 0.9300 . ?
C12 C13 1.370(7) . ?
C12 H12 0.9300 . ?
C13 C14 1.360(7) . ?
C13 H13 0.9300 . ?
C14 H14 0.9300 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
