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_4081246
_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
;
   C136 H116 P8 Ru4,2(C H2 Cl2),9/2(C6 H6),2(As F6) 
;
_chemical_formula_sum            'C165 H147 As2 Cl4 F12 P8 Ru4'
_chemical_formula_weight         3301.51
_chemical_name_systematic
;
 ?
;
_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_date             2009-08-07T16:18:54-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                98.452(3)
_cell_angle_beta                 94.541(4)
_cell_angle_gamma                95.517(3)
_cell_formula_units_Z            2
_cell_length_a                   17.2467(7)
_cell_length_b                   20.2846(7)
_cell_length_c                   22.0628(9)
_cell_measurement_reflns_used    18621
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      67.0079
_cell_measurement_theta_min      2.7566
_cell_volume                     7565.1(5)
_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 10.4738
_diffrn_measured_fraction_theta_full 0.99
_diffrn_measured_fraction_theta_max 0.99
_diffrn_measurement_device_type  'Xcalibur, Ruby, Gemini ultra'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_UB_11      0.0266696371
_diffrn_orient_matrix_UB_12      0.0074332243
_diffrn_orient_matrix_UB_13      0.0691876754
_diffrn_orient_matrix_UB_21      0.0861844135
_diffrn_orient_matrix_UB_22      0.0086036005
_diffrn_orient_matrix_UB_23      -0.0140177791
_diffrn_orient_matrix_UB_31      -0.0021625011
_diffrn_orient_matrix_UB_32      0.0764362933
_diffrn_orient_matrix_UB_33      0.0061806669
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0798
_diffrn_reflns_av_unetI/netI     0.0747
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            105301
_diffrn_reflns_theta_full        67.25
_diffrn_reflns_theta_max         67.25
_diffrn_reflns_theta_min         2.76
_exptl_absorpt_coefficient_mu    5.644
_exptl_absorpt_correction_T_max  0.84
_exptl_absorpt_correction_T_min  0.45
_exptl_absorpt_correction_type   analytical
_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    1.449
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3350
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.05
_platon_squeeze_details
;
;
_refine_diff_density_max         4.723
_refine_diff_density_min         -0.904
_refine_diff_density_rms         0.199
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.01
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1864
_refine_ls_number_reflns         26859
_refine_ls_number_restraints     330
_refine_ls_restrained_S_all      1.005
_refine_ls_R_factor_all          0.1067
_refine_ls_R_factor_gt           0.0767
_refine_ls_shift/su_max          0.014
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1492P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.205
_refine_ls_wR_factor_ref         0.2213
_reflns_number_gt                18072
_reflns_number_total             26859
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            om4003768_si_003.cif
_cod_data_source_block           br1486
_cod_original_sg_symbol_Hall     '-p 1'
_cod_database_code               4081246