Reactions of Ru-alkynyl Complexes with Electrophilic Boranes
Boone, Michael P.; Stephan, Douglas W.; Organometallics 30 (2011) 5537–; doi:10.1021/om200815s

data_4083332
_publ_section_title
;
 Reactions of Ru-alkynyl Complexes with Electrophilic Boranes
;
_journal_issue                   20
_journal_name_full               Organometallics
_journal_page_first              5537
_journal_paper_doi               10.1021/om200815s
_journal_volume                  30
_journal_year                    2011
_chemical_formula_sum            'C73 H46 B F15 P2 Ru'
_chemical_formula_weight         1381.92
_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_method           SHELXL-97
_cell_angle_alpha                94.811(9)
_cell_angle_beta                 99.771(9)
_cell_angle_gamma                106.499(9)
_cell_formula_units_Z            2
_cell_length_a                   11.7355(17)
_cell_length_b                   16.195(2)
_cell_length_c                   17.148(3)
_cell_measurement_temperature    150(2)
_cell_volume                     3049.3(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.941
_diffrn_measured_fraction_theta_max 0.941
_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  0.1599
_diffrn_reflns_av_sigmaI/netI    0.2025
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            46224
_diffrn_reflns_theta_full        27.53
_diffrn_reflns_theta_max         27.53
_diffrn_reflns_theta_min         1.22
_exptl_absorpt_coefficient_mu    0.401
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.3798
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    1.505
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1396
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.711
_refine_diff_density_min         -2.450
_refine_diff_density_rms         0.144
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.978
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     829
_refine_ls_number_reflns         13226
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      0.978
_refine_ls_R_factor_all          0.1746
_refine_ls_R_factor_gt           0.0934
_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^)+(0.1179P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2119
_refine_ls_wR_factor_ref         0.2611
_reflns_number_gt                6631
_reflns_number_total             13226
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            4-mb072_0m.cif
_cod_data_source_block           mb072_0m
_cod_original_cell_volume        3049.4(8)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4083332