Ruthenium(III) Polyaminocarboxylate Complexes: Efficient and Effective Nitric Oxide Scavengers
Beth R. Cameron; Marilyn C. Darkes; Helen Yee; Micki Olsen; Simon P. Fricker; Renato T. Skerlj; Gary J. Bridger; Nathan A. Davies; Michael T. Wilson; David J. Rose; Jon Zubieta; Inorganic Chemistry 42 (2003) 1868–1876; doi:10.1021/ic020219+

data_4327439
_publ_section_title
;
 Ruthenium(III) Polyaminocarboxylate Complexes: Efficient and Effective
 Nitric Oxide Scavengers
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1868
_journal_page_last               1876
_journal_paper_doi               10.1021/ic020219+
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C14 H18 N4 O13.28 Ru'
_chemical_formula_weight         562.49
_chemical_name_systematic
;
  ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                78.413(6)
_cell_angle_beta                 75.804(6)
_cell_angle_gamma                73.562(6)
_cell_formula_units_Z            2
_cell_length_a                   8.838(2)
_cell_length_b                   9.452(3)
_cell_length_c                   13.419(4)
_cell_measurement_temperature    293(2)
_cell_volume                     1031.9(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_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  0.0221
_diffrn_reflns_av_sigmaI/netI    0.0279
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            4870
_diffrn_reflns_theta_full        26.31
_diffrn_reflns_theta_max         26.31
_diffrn_reflns_theta_min         2.27
_exptl_absorpt_coefficient_mu    0.843
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.814
_exptl_crystal_description       Block
_exptl_crystal_F_000             574.12
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.117
_refine_diff_density_min         -0.676
_refine_diff_density_rms         0.117
_refine_ls_extinction_coef       0.0043(11)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.107
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     308
_refine_ls_number_reflns         2970
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.107
_refine_ls_R_factor_all          0.0431
_refine_ls_R_factor_gt           0.0385
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0639P)^2^+2.9785P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1060
_refine_ls_wR_factor_ref         0.1087
_reflns_number_gt                2709
_reflns_number_total             2970
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0202192B_1.cif
_cod_data_source_block           AMD3689
_cod_original_cell_volume        1031.8(5)
_cod_database_code               4327439