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_4327441
_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            'C10 H14 N3 O10 Ru'
_chemical_formula_weight         437.31
_chemical_name_systematic
;
  ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 100.191(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.9043(4)
_cell_length_b                   13.1144(3)
_cell_length_c                   12.0914(4)
_cell_measurement_temperature    293(2)
_cell_volume                     1545.76(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'Rigaku AFC5S'
_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  0.0504
_diffrn_reflns_av_sigmaI/netI    0.0435
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            1905
_diffrn_reflns_theta_full        26.49
_diffrn_reflns_theta_max         26.49
_diffrn_reflns_theta_min         3.55
_exptl_absorpt_coefficient_mu    1.073
_exptl_crystal_colour            Purple
_exptl_crystal_density_diffrn    1.879
_exptl_crystal_description       Needle
_exptl_crystal_F_000             876
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.869
_refine_diff_density_min         -0.601
_refine_diff_density_rms         0.101
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.118
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     217
_refine_ls_number_reflns         1773
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.118
_refine_ls_R_factor_all          0.0639
_refine_ls_R_factor_gt           0.0416
_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^)+(0.0459P)^2^+6.4161P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1004
_refine_ls_wR_factor_ref         0.1104
_reflns_number_gt                1415
_reflns_number_total             1773
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0202192B_3.cif
_cod_data_source_block           AMD6263
_cod_original_cell_volume        1545.8
_cod_database_code               4327441