Novel ruthenium(III) dimers Na2[{trans-RuCl4(Me2SO-S )}2(μ-L)] and [{mer,cis-RuCl3(Me2SO-S )(Me2SO-O)}2(μ-L)] (L = bridging heterocyclic N-donor ligand) closely related to the antimetastatic complex Na[trans-RuCl4(Me2SO-S )(Him)] †
Iengo, Elisabetta; Mestroni, Giovanni; Geremia, Silvano; Calligaris, Mario; Alessio, Enzo; Journal of the Chemical Society, Dalton Transactions  (1999) 3361–; doi:10.1039/a904264d

data_7027576
_publ_section_title
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 Novel ruthenium(III) dimers Na2[{trans-RuCl4(Me2SO-S&#x200A;)}2(\m-L)]
 and [{mer,cis-RuCl3(Me2SO-S&#x200A;)(Me2SO-O)}2(\m-L)]
 (L&#x2005;=&#x2005;bridging heterocyclic N-donor ligand) closely related
 to the antimetastatic complex
 Na[trans-RuCl4(Me2SO-S&#x200A;)(Him)]&#x200A;&#x2020;
;
_journal_issue                   19
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              3361
_journal_paper_doi               10.1039/a904264d
_journal_year                    1999
_chemical_formula_moiety
'(Na 1+)2, C8 H16 Cl8 N2 O2 Ru S2 2-, 3(C2 H6 O S), H2 O'
_chemical_formula_sum            'C14 H36 Cl8 N2 Na2 O6 Ru2 S5'
_chemical_formula_weight         1020.47
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     Patterson
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                93.33(3)
_cell_angle_beta                 101.51(3)
_cell_angle_gamma                92.61(3)
_cell_formula_units_Z            1
_cell_length_a                   7.419(3)
_cell_length_b                   11.048(3)
_cell_length_c                   11.210(7)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      16
_cell_measurement_theta_min      13
_cell_volume                     897.3(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0936
_diffrn_reflns_av_sigmaI/netI    0.2965
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3689
_diffrn_reflns_theta_full        25.99
_diffrn_reflns_theta_max         25.99
_diffrn_reflns_theta_min         2.53
_exptl_absorpt_coefficient_mu    1.785
_exptl_crystal_density_diffrn    1.888
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             508
_refine_diff_density_max         1.582
_refine_diff_density_min         -1.800
_refine_diff_density_rms         0.235
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     171
_refine_ls_number_reflns         3502
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.068
_refine_ls_R_factor_all          0.2880
_refine_ls_R_factor_gt           0.1129
_refine_ls_shift/su_max          0.047
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2194
_refine_ls_wR_factor_ref         0.2786
_reflns_number_gt                1370
_reflns_number_total             3502
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            904264dsup1.cif
_cod_data_source_block           1a
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_database_code               7027576