Tetra-μ-acetamidato-κ^4^<i>N</i>:<i>O</i>;κ^4^<i>O</i>:<i>N</i>-bis[aquaruthenium(II,III)]<i>(Ru{—</i>Ru)} perchlorate
Fuma, Yasuhiro; Ebihara, Masahiro; Acta Crystallographica Section E 62 (2006) m2802–m2804; doi:10.1107/S1600536806039298

data_2211089
_publ_section_title
;Tetra-\m-acetamidato-\k^4^<i>N</i>:<i>O</i>;\k^4^<i>O</i>:<i>N</i>-bis[aquaruthenium(II,III)]<i>(Ru{---</i>Ru)}
 perchlorate
;
_journal_coeditor_code           KP2034
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2802
_journal_page_last               m2804
_journal_paper_doi               10.1107/S1600536806039298
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Ru2 (C2 H4 N O)4 (H2 O)2] Cl O4'
_chemical_formula_moiety         'C8 H20 N4 O6 Ru2 +, Cl O4 -'
_chemical_formula_sum            'C8 H20 Cl N4 O10 Ru2'
_chemical_formula_weight         569.87
_chemical_name_systematic
;
Tetra-\m-acetamidato-\k^4^N:O;\k^4^O:N-diaquadiruthenium(II,III)(Ru---Ru)
perchlorate
;
_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                109.882(4)
_cell_angle_beta                 98.696(4)
_cell_angle_gamma                104.705(4)
_cell_formula_units_Z            2
_cell_length_a                   7.704(4)
_cell_length_b                   11.454(6)
_cell_length_c                   11.686(6)
_cell_measurement_reflns_used    2208
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.5
_cell_volume                     905.4(8)
_computing_cell_refinement       CrystalClear
_computing_data_collection
'CrystalClear (Molecular Structure Corporation & Rigaku, 2001)'
_computing_data_reduction        'TEXSAN (Rigaku/MSC, 2004)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  'SHELXL97 and TEXSAN'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare <i>et al.</i>,  1999)'
_diffrn_ambient_temperature      123(2)
_diffrn_detector_area_resol_mean 14.62
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0220
_diffrn_reflns_av_sigmaI/netI    0.0298
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            7392
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.49
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.871
_exptl_absorpt_correction_T_max  0.825
_exptl_absorpt_correction_T_min  0.753
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1999)'
_exptl_crystal_colour            Brown
_exptl_crystal_density_diffrn    2.091
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             562
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.457
_refine_diff_density_min         -0.467
_refine_ls_extinction_coef       0.0045(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   1.111
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     244
_refine_ls_number_reflns         4086
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.111
_refine_ls_R_factor_all          0.0539
_refine_ls_R_factor_gt           0.0310
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0297P)^2^+0.3098P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0627
_refine_ls_wR_factor_ref         0.0694
_reflns_number_gt                3025
_reflns_number_total             4086
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            kp2034.cif
_cod_data_source_block           I
_cod_database_code               2211089
_cod_database_fobs_code          2211089