#------------------------------------------------------------------------------
#$Date: 2016-02-18 16:37:37 +0100 (jue 18 de feb de 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/88/1518887.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_1518887
loop_
_publ_author_name
'Mark D. Young'
'Qiang Zhang'
'Hong-Cai Zhou'
_publ_section_title
;
 Metal-organic polyhedra constructed from dinuclear ruthenium paddlewheels
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              216
_journal_page_last               220
_journal_paper_doi               10.1016/j.ica.2014.09.010
_journal_volume                  424
_journal_year                    2015
_chemical_formula_sum            'C336 H396 Cl12 N12 O108 Ru24'
_chemical_formula_weight         9181.73
_space_group_IT_number           87
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   29.682(7)
_cell_length_b                   29.682(7)
_cell_length_c                   41.882(12)
_cell_volume                     36899(16)
_diffrn_ambient_temperature      213
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.560
_exptl_crystal_density_diffrn    0.826
_refine_ls_number_parameters     555
_refine_ls_number_reflns         16282
_refine_ls_R_factor_gt           0.0829
_refine_ls_wR_factor_gt          0.2678
_cod_data_source_file            ICA-2015-424-216-220-3.cif
_cod_data_source_block           1
_cod_depositor_comments
;
No atomic coordinates provided with the paper
;
_cod_original_cell_volume        36898(16)
_cod_database_code               1518887
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -y,x,z
3 -x,-y,z
4 y,-x,z
5 -x,-y,-z
6 y,-x,-z
7 x,y,-z
8 -y,x,-z
9 1/2+x,1/2+y,1/2+z
10 1/2-y,1/2+x,1/2+z
11 1/2-x,1/2-y,1/2+z
12 1/2+y,1/2-x,1/2+z
13 1/2-x,1/2-y,1/2-z
14 1/2+y,1/2-x,1/2-z
15 1/2+x,1/2+y,1/2-z
16 1/2-y,1/2+x,1/2-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
? ? ? ? ? ?
