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#$Date: 2022-09-15 03:04:42 +0300 (Thu, 15 Sep 2022) $
#$Revision: 277859 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/30/05/4300554.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_4300554
loop_
_publ_author_name
'Dikarev, Evgeny V.'
'Filatov, Alexander S.'
'Clerac, Rodolphe'
'Petrukhina, Marina A.'
_publ_section_title
;
Unligated Diruthenium(II,II) Tetra(trifluoroacetate): The First X-Ray 
Structural Study, Thermal Compressibility, Lewis Acidity and Magnetism
;
_journal_issue                   2
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              744
_journal_page_last               751
_journal_paper_doi               10.1021/ic051537m
_journal_volume                  45
_journal_year                    2006
_chemical_formula_moiety         'Ru2 (O2 C C F3)4'
_chemical_formula_sum            'C8 F12 O8 Ru2'
_chemical_formula_weight         654.22
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                81.9370(10)
_cell_angle_beta                 84.6310(10)
_cell_angle_gamma                87.0310(10)
_cell_formula_units_Z            1
_cell_length_a                   5.2457(5)
_cell_length_b                   8.6067(8)
_cell_length_c                   9.1343(8)
_cell_measurement_temperature    173(2)
_cell_volume                     406.22(6)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    2.640
_cod_database_code               4300554
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 0.31894(4) 0.53521(3) 0.44318(3) 0.01991(11) Uani 1 1 d . . .
O1 O 0.2856(4) 0.7376(3) 0.5400(3) 0.0262(5) Uani 1 1 d . . .
O2 O 0.1041(4) 0.4218(3) 0.6279(3) 0.0238(5) Uani 1 1 d . . .
O4 O 0.5349(4) 0.6448(3) 0.2628(3) 0.0261(5) Uani 1 1 d . . .
O3 O 0.3541(4) 0.3322(3) 0.3481(3) 0.0273(5) Uani 1 1 d . . .
F1 F 0.2936(5) 1.0198(3) 0.6257(3) 0.0426(6) Uani 1 1 d . . .
F2 F 0.6471(6) 0.9583(3) 0.7217(3) 0.0548(7) Uani 1 1 d . . .
F6 F -0.0661(5) 0.1700(3) 0.8415(3) 0.0545(7) Uani 1 1 d . . .
F4 F -0.0989(6) 0.3878(3) 0.9243(3) 0.0586(7) Uani 1 1 d . . .
C1 C 0.4556(6) 0.7576(4) 0.6224(4) 0.0256(6) Uani 1 1 d . . .
F3 F 0.2959(7) 0.8686(3) 0.8331(3) 0.0660(9) Uani 1 1 d . . .
F5 F 0.2120(5) 0.2265(5) 0.9811(3) 0.0898(14) Uani 1 1 d . . .
C2 C 0.2291(6) 0.3590(4) 0.7356(4) 0.0237(6) Uani 1 1 d . . .
C4 C 0.0698(6) 0.2832(4) 0.8736(4) 0.0311(7) Uani 1 1 d . . .
C3 C 0.4233(8) 0.9040(4) 0.7014(4) 0.0347(8) 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
Ru1 O3 2.051(2) . y
Ru1 O4 2.053(2) . y
Ru1 O1 2.054(2) . y
Ru1 O2 2.090(2) . y
Ru1 Ru1 2.2641(4) 2_666 y
Ru1 O2 2.366(2) 2_566 y
O1 C1 1.253(4) . n
O2 C2 1.274(4) . n
O2 Ru1 2.366(2) 2_566 n
O4 C2 1.238(4) 2_666 n
O3 C1 1.256(4) 2_666 n
F1 C3 1.326(4) . n
F2 C3 1.324(5) . n
F6 C4 1.317(4) . n
F4 C4 1.329(4) . n
C1 O3 1.256(4) 2_666 n
C1 C3 1.532(5) . n
F3 C3 1.324(4) . n
F5 C4 1.313(4) . n
C2 O4 1.238(4) 2_666 n
C2 C4 1.531(4) . n
