Ruthenium(II) Sulfoxide-Maltolato and -Nitroimidazole Complexes: Synthesis and MTT Assay
Adam Wu; David C. Kennedy; Brian O. Patrick; Brian R. James; Inorganic Chemistry 42 (2003) 7579–7586; doi:10.1021/ic030119j

data_4312461
_publ_section_title
;
 Ruthenium(II) Sulfoxide-Maltolato and -Nitroimidazole Complexes:
 Synthesis and MTT Assay
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7579
_journal_page_last               7586
_journal_paper_doi               10.1021/ic030119j
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C18 H24 O9 Ru S2'
_chemical_formula_weight         549.57
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             2002-08-08
_audit_creation_method           'by teXsan v1.8'
_audit_update_record
;
?
;
_cell_angle_alpha                71.618(6)
_cell_angle_beta                 82.902(8)
_cell_angle_gamma                89.238(8)
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_cell_length_a                   7.5998(3)
_cell_length_b                   9.8229(4)
_cell_length_c                   15.3305(4)
_cell_measurement_reflns_used    6720
_cell_measurement_temperature    173.2
_cell_measurement_theta_max      27.87
_cell_measurement_theta_min      2.18
_cell_volume                     1077.33(8)
_computing_cell_refinement       'd*TREK (MSC, 1996-1998)'
_computing_data_collection       'd*TREK (MSC, 1996-1998)'
_computing_data_reduction        'd*TREK (MSC, 1996-1998)'
_computing_publication_material  'teXsan (MSC, 1992-1997)'
_computing_structure_refinement  'teXsan (MSC, 1992-1997)'
_computing_structure_solution
;
SIR97 (Altomare, et. al. 1998)
;
_diffrn_ambient_temperature      173.2
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_diffrn_radiation_detector       CCD
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.03748
_diffrn_reflns_av_sigmaI/netI    0.080
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
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_diffrn_reflns_limit_l_min       -18
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_reflns_number_gt                3396
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_reflns_threshold_expression     I>3.00\s(I)
_cod_data_source_file            ic030119j_2.cif
_cod_data_source_block           bj375/cis-Ru(ma)2(BESE)
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        1077.34(8)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C18 H24 O9 S2 Ru '
_cod_database_code               4312461