Synthesis, structures and speciation studies of ruthenium(III) hydroxamate/hydroximato complexes. Crystal and molecular structure of hydrated [Ru(H2edta)(2-methoxyphenylhydroxamate)], the first structurally characterised ruthenium(III)‒hydroxamate complex
Jedd Comiskey; Etelka Farkas; Krystyna A. Krot-Lacina; Robin G. Pritchard; Charles A. McAuliffe (the late); Kevin B. Nolan; Dalton Trans.  (2003) 4243–4249; doi:10.1039/b310193m

data_7013571
_publ_section_title
;
 Synthesis, structures and speciation studies of ruthenium(III)
 hydroxamate/hydroximato complexes. Crystal and molecular structure of
 hydrated [Ru(H2edta)(2-methoxyphenylhydroxamate)], the first
 structurally characterised ruthenium(III)--hydroxamate complex
;
_journal_issue                   22
_journal_name_full               'Dalton Trans.'
_journal_page_first              4243
_journal_page_last               4249
_journal_paper_doi               10.1039/b310193m
_journal_year                    2003
_chemical_formula_moiety         'C18 H22 N3 O11 Ru1, 4.91(H2 O1)'
_chemical_formula_sum            'C18 H31.82 N3 O15.91 Ru'
_chemical_formula_weight         645.91
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 110.264(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   42.700(6)
_cell_length_b                   8.5319(9)
_cell_length_c                   15.292(2)
_cell_measurement_reflns_used    19394
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_volume                     5226.2(12)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 19'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.956
_diffrn_measured_fraction_theta_max 0.956
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_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  0.1962
_diffrn_reflns_av_sigmaI/netI    0.1623
_diffrn_reflns_limit_h_max       43
_diffrn_reflns_limit_h_min       -48
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            10672
_diffrn_reflns_theta_full        23.59
_diffrn_reflns_theta_max         23.59
_diffrn_reflns_theta_min         3.05
_exptl_absorpt_coefficient_mu    0.68
_exptl_absorpt_correction_T_max  1.056
_exptl_absorpt_correction_T_min  0.964
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
?
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.642
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2656.8
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.197
_refine_diff_density_min         -0.952
_refine_diff_density_rms         0.166
_refine_ls_extinction_coef       0.00093(7)
_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   1.110
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     371
_refine_ls_number_reflns         3739
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.110
_refine_ls_R_factor_all          0.2074
_refine_ls_R_factor_gt           0.1252
_refine_ls_shift/su_max          0.256
_refine_ls_shift/su_mean         0.006
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0300P)^2^+329.1807P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2490
_refine_ls_wR_factor_ref         0.3133
_reflns_number_gt                2140
_reflns_number_total             3739
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b310193m.txt
_cod_data_source_block           new
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7013571