Tetra-μ-acetato-κ^8^<i>O</i>:<i>O</i>'-bis[(<i>N</i>^1^,<i>N</i>^2^-di-<i>p</i>-anisylformamidine-κ<i>N</i>^2^)ruthenium(II)](<i>Ru{—</i>Ru}): an example of an axial bis-adduct of {Ru~2~}^4+^ tetracarboxylate with N-donor ligands
Angaridis, Panagiotis; Cotton, F. Albert; Murillo, Carlos A.; Wang, Xiao-Ping; Acta Crystallographica Section C 61 (2005) m109–m111; doi:10.1107/S0108270104032494

data_2014668
_publ_section_title
;Tetra-\m-acetato-\k^8^<i>O</i>:<i>O</i>'-bis[(<i>N</i>^1^,<i>N</i>^2^-di-<i>p</i>-anisylformamidine-\k<i>N</i>^2^)ruthenium(II)](<i>Ru{---</i>Ru}):
 an example of an axial bis-adduct of {Ru~2~}^4+^ tetracarboxylate with
 N-donor ligands
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m109
_journal_page_last               m111
_journal_paper_doi               10.1107/S0108270104032494
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          '[Ru2 (C2 H3 O2)4 (C15 H16 N2 O2)2]'
_chemical_formula_moiety         'C38 H44 N4 O12 Ru2'
_chemical_formula_sum            'C38 H44 N4 O12 Ru2'
_chemical_formula_weight         950.91
_chemical_name_systematic
;
Tetra-\m-acetato-\k^8^O:O'-bis[(N^1^,N^2^-di-p-anisylformamidine-
\kN^2^)ruthenium(II)](Ru---Ru)
;
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 104.649(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   15.2123(14)
_cell_length_b                   14.7393(13)
_cell_length_c                   8.9550(8)
_cell_measurement_reflns_used    5138
_cell_measurement_temperature    213(2)
_cell_measurement_theta_max      27.45
_cell_measurement_theta_min      2.72
_cell_volume                     1942.6(3)
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2001)'
_computing_publication_material  'CIFTAB in SHELXTL'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      213(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker SMART 1000'
_diffrn_measurement_method       \w
_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  0.0429
_diffrn_reflns_av_sigmaI/netI    0.0407
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            12766
_diffrn_reflns_theta_full        27.56
_diffrn_reflns_theta_max         27.56
_diffrn_reflns_theta_min         1.96
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.846
_exptl_absorpt_correction_T_max  0.8101
_exptl_absorpt_correction_T_min  0.7394
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '[SADABS; Blessing (1995) and Bruker (2003)]'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.626
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             968
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.26
_refine_diff_density_max         1.479
_refine_diff_density_min         -0.852
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.106
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     342
_refine_ls_number_reflns         4460
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.106
_refine_ls_R_factor_all          0.0755
_refine_ls_R_factor_gt           0.0473
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0628P)^2^+2.231P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1112
_refine_ls_wR_factor_ref         0.1340
_reflns_number_gt                3289
_reflns_number_total             4460
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            fr1513.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2014668
_cod_database_fobs_code          2014668