Straightforward Access to Tetrametallic Complexes with a Square Array by Oxidative Dimerization of Organometallic Wires
Burgun, Alexandre; Gendron, Frédéric; Schauer, Phil A.; Skelton, Brian W.; Low, Paul J.; Costuas, Karine; Halet, Jean-François; Bruce, Michael I.; Lapinte, Claude; Organometallics 32 (2013) 5015–; doi:10.1021/om4003768

data_4081245
_publ_section_title
;
 Straightforward Access to Tetrametallic Complexes with a Square Array by
 Oxidative Dimerization of Organometallic Wires
;
_journal_issue                   18
_journal_name_full               Organometallics
_journal_page_first              5015
_journal_paper_doi               10.1021/om4003768
_journal_volume                  32
_journal_year                    2013
_chemical_formula_moiety         'C68 H58 P4 Ru2,0.5(C6 H6)'
_chemical_formula_sum            'C71 H61 P4 Ru2'
_chemical_formula_weight         1240.22
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           85
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4a'
_symmetry_space_group_name_H-M   'P 4/n :2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2009-07-13T13:06:04-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   35.6390(18)
_cell_length_b                   35.6390(18)
_cell_length_c                   9.3223(8)
_cell_measurement_reflns_used    12634
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.9007
_cell_measurement_theta_min      2.7215
_cell_volume                     11840.6(13)
_computing_cell_refinement
;
        CrysAlis RED, Oxford Diffraction Ltd.,
        Version 1.171.32.29 (release 10-06-2008 CrysAlis171 .NET)
        (compiled Jun 10 2008,16:49:55)
;
_computing_data_collection
;
        CrysAlis CCD, Oxford Diffraction Ltd.,
        Version 1.171.32.29 (release 10-06-2008 CrysAlis171 .NET)
        (compiled Jun 10 2008,16:49:55)
;
_computing_data_reduction
;
        CrysAlis RED, Oxford Diffraction Ltd.,
        Version 1.171.32.29 (release 10-06-2008 CrysAlis171 .NET)
        (compiled Jun 10 2008,16:49:55)
;
_computing_molecular_graphics    'OrtepII (Johnson, C. K. (1976)'
_computing_publication_material  'WinGX Farrugia, L. J. (1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 16.0009
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.952
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_UB_11      0.0001918592
_diffrn_orient_matrix_UB_12      -0.0024775452
_diffrn_orient_matrix_UB_13      0.0758367258
_diffrn_orient_matrix_UB_21      0.0158655202
_diffrn_orient_matrix_UB_22      -0.0120197849
_diffrn_orient_matrix_UB_23      -0.0063597678
_diffrn_orient_matrix_UB_31      0.0121038285
_diffrn_orient_matrix_UB_32      0.0157618649
_diffrn_orient_matrix_UB_33      0.007016349
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1094
_diffrn_reflns_av_unetI/netI     0.1417
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_h_min       -46
_diffrn_reflns_limit_k_max       46
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            82455
_diffrn_reflns_theta_full        27
_diffrn_reflns_theta_max         27.81
_diffrn_reflns_theta_min         2.72
_exptl_absorpt_coefficient_mu    0.66
_exptl_absorpt_correction_T_max  0.94
_exptl_absorpt_correction_T_min  0.88
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.29 (release 10-06-2008 CrysAlis171 .NET)
(compiled Jun 10 2008,16:49:55)
Analytical numeric absorption correction using a multifaceted crystal
    model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.391
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       slab
_exptl_crystal_F_000             5080
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.1
_refine_diff_density_max         2.052
_refine_diff_density_min         -0.696
_refine_diff_density_rms         0.121
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.943
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     982
_refine_ls_number_reflns         13367
_refine_ls_number_restraints     604
_refine_ls_restrained_S_all      0.941
_refine_ls_R_factor_all          0.1514
_refine_ls_R_factor_gt           0.0718
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1023P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.16
_refine_ls_wR_factor_ref         0.1915
_reflns_number_gt                7647
_reflns_number_total             13367
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            om4003768_si_002.cif
_cod_data_source_block           br1466
_cod_original_sg_symbol_Hall     -P_4a
_cod_original_sg_symbol_H-M      'P 4/n'
_cod_database_code               4081245