Tetra-μ-acetato-κ^8^<i>O</i>:<i>O</i>'-bis[(3-cyanopyridine-κ<i>N</i>^1^)ruthenium(II,III)](<i>Ru</i>—<i>Ru</i>) hexafluoridophosphate 1,2-dichloroethane monosolvate
Minaker, Samuel A.; Wang, Ruiyao; Aquino, Manuel A. S.; Acta Crystallographica Section E 67 (2011) m1554–; doi:10.1107/S1600536811041997

data_2232415
_publ_section_title
;
 Tetra-\m-acetato-\k^8^<i>O</i>:<i>O</i>'-bis[(3-cyanopyridine-\k<i>N</i>^1^)ruthenium(II,III)](<i>Ru</i>---<i>Ru</i>)
 hexafluoridophosphate 1,2-dichloroethane monosolvate
;
_journal_coeditor_code           NK2113
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1554
_journal_paper_doi               10.1107/S1600536811041997
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Ru2 (C2 H3 O2)4 (C6 H4 N2)2] P F6, C2 H4 Cl2'
_chemical_formula_moiety         'C20 H20 N4 O8 Ru2 +, F6 P -, C2 H4 Cl2'
_chemical_formula_sum            'C22 H24 Cl2 F6 N4 O8 P Ru2'
_chemical_formula_weight         890.46
_chemical_name_systematic
;
Tetra-\m-acetato-\k^8^<i>O</i>:<i>O</i>'-bis[(3-cyanopyridine-
\k<i>N</i>^1^)ruthenium(II,III)](<i>Ru</i>---<i>Ru</i>) hexafluoridophosphate
1,2-dichloroethane monosolvate
;
_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                105.860(6)
_cell_angle_beta                 108.929(5)
_cell_angle_gamma                104.099(5)
_cell_formula_units_Z            1
_cell_length_a                   8.1743(6)
_cell_length_b                   10.3955(10)
_cell_length_c                   11.3970(10)
_cell_measurement_reflns_used    4068
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      27.12
_cell_measurement_theta_min      2.35
_cell_volume                     820.37(14)
_computing_cell_refinement       'SAINT (Bruker, 2010)'
_computing_data_collection       'APEX2 (Bruker, 2010)'
_computing_data_reduction        'SAINT (Bruker, 2010)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      180(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \w scans'
_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  0.0269
_diffrn_reflns_av_sigmaI/netI    0.0398
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            6133
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.05
_exptl_absorpt_coefficient_mu    1.214
_exptl_absorpt_correction_T_max  0.8388
_exptl_absorpt_correction_T_min  0.7933
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2010)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.802
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             439
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.845
_refine_diff_density_min         -0.755
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.091
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     226
_refine_ls_number_reflns         3175
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.091
_refine_ls_R_factor_all          0.0337
_refine_ls_R_factor_gt           0.0279
_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^)+(0.0226P)^2^+1.1880P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0726
_refine_ls_wR_factor_ref         0.0775
_reflns_number_gt                2784
_reflns_number_total             3175
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            nk2113.cif
_cod_data_source_block           I
_cod_original_cell_volume        820.38(14)
_cod_database_code               2232415
_cod_database_fobs_code          2232415