C-C Coupling of a Permetalated Ethene, (μ4-C=C)Ru2(FeCp*)2(CO)10, with Alkynes, and Isolation of a Labile MeCN Adduct, (μ4-C\δb C)Ru2(FeCp*)2(CO)8(NCMe)2
Gou Higashihara; Masako Terada; Akiko Inagaki; Munetaka Akita; Organometallics 26 (2007) 439–444; doi:10.1021/om0609160

data_4063290
_publ_section_title
;
 C-C Coupling of a Permetalated Ethene, (\m4-C\\db C)Ru2(FeCp*)2(CO)10,
 with Alkynes, and Isolation of a Labile MeCN Adduct, (\m4-C\\db
 C)Ru2(FeCp*)2(CO)8(NCMe)2
;
_journal_name_full               Organometallics
_journal_page_first              439
_journal_page_last               444
_journal_paper_doi               10.1021/om0609160
_journal_volume                  26
_journal_year                    2007
_chemical_formula_moiety         'C41 H44 Fe2 N2 O8 Ru2 '
_chemical_formula_sum            'C41 H44 Fe2 N2 O8 Ru2'
_chemical_formula_weight         1006.64
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.49(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.292(8)
_cell_length_b                   13.849(7)
_cell_length_c                   27.36(2)
_cell_measurement_reflns_used    17945
_cell_measurement_temperature    213
_cell_measurement_theta_max      27.6
_cell_measurement_theta_min      3.0
_cell_volume                     4265(4)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  SHELXL97
_computing_structure_solution    DirectMethod
_diffrn_ambient_temperature      213
_diffrn_detector_area_resol_mean 10.00
_diffrn_measurement_device_type  'Rigaku RAXIS-IV Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.128
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            32748
_diffrn_reflns_theta_max         27.49
_exptl_absorpt_coefficient_mu    1.412
_exptl_absorpt_correction_T_max  0.868
_exptl_absorpt_correction_T_min  0.604
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            unknown
_exptl_crystal_density_diffrn    1.567
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       unknown
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.32
_refine_diff_density_min         -0.72
_refine_ls_extinction_coef       0.0000
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.890
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     465
_refine_ls_number_reflns         4044
_refine_ls_R_factor_gt           0.0726
_refine_ls_shift/su_max          0.0460
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2201
_reflns_number_gt                4044
_reflns_number_total             9652
_reflns_threshold_expression     >2.0sigma(I)
_cod_original_formula_sum        'C41 H44 Fe2 N2 O8 Ru2 '
_cod_database_code               4063290