Synthesis of the Five-Coordinate Ruthenium(II) Complexes [(PCP)Ru(CO)(L)][BAr'4] {PCP = 2,6-(CH2PtBu2)2C6H3, BAr'4= 3,5-(CF3)2C6H3, L = η1-ClCH2Cl, η1-N2, or μ-Cl-Ru(PCP)(CO)}: Reactions with Phenyldiazomethane and Phenylacetylene
Jubo Zhang; Khaldoon A. Barakat; Thomas R. Cundari; T. Brent Gunnoe; Paul D. Boyle; Jeffrey L. Petersen; Cynthia S. Day; Inorganic Chemistry 44 (2005) 8379–8390; doi:10.1021/ic051074k

data_4310032
_publ_section_title
;
Synthesis of the Five-Coordinate Ruthenium(II) Complexes
[(PCP)Ru(CO)(L)][BAr'4] {PCP = 2,6-(CH2PtBu2)2C6H3, BAr'4=
3,5-(CF3)2C6H3, L = \h1-ClCH2Cl, \h1-N2, or \m-Cl-Ru(PCP)(CO)}:
Reactions with Phenyldiazomethane and Phenylacetylene
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8379
_journal_page_last               8390
_journal_paper_doi               10.1021/ic051074k
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         'C66 H62.50 B F25.50 N2 O P2 Ru '
_chemical_formula_sum            'C66 H62.5 B F25.5 N2 O P2 Ru'
_chemical_formula_weight         1558.01
_chemical_name_systematic
;
[(PCP)Ru(CO)(N2)][BAr'4]
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                102.535(3)
_cell_angle_beta                 94.787(3)
_cell_angle_gamma                91.770(3)
_cell_formula_units_Z            2
_cell_length_a                   12.3183(6)
_cell_length_b                   12.6860(6)
_cell_length_c                   22.7533(12)
_cell_measurement_reflns_used    8621
_cell_measurement_temperature    110
_cell_measurement_theta_max      28.35
_cell_measurement_theta_min      2.28
_cell_volume                     3454.4(3)
_computing_cell_refinement       Apex2
_computing_data_collection       Apex2
_computing_data_reduction        'NRCVAX DATRD2'
_computing_molecular_graphics    NRCVAX
_computing_publication_material  'NRCVAX TABLES Jan 94 Version'
_computing_structure_refinement  'NRCVAX LSTSQ'
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      110
_diffrn_measurement_device       'Bruker-Nonius X8 Apex2'
_diffrn_measurement_method       'Omega and Phi scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'xray tube'
_diffrn_radiation_type           'Molybdenum K\a'
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .032
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            190941
_diffrn_reflns_theta_max         35.36
_diffrn_reflns_theta_min         0.00
_exptl_absorpt_coefficient_mu    .38
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  1.0000
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            gold
_exptl_crystal_density_diffrn    1.498
_exptl_crystal_description       prism
_exptl_crystal_F_000             1577.26
_exptl_crystal_size_max          .28
_exptl_crystal_size_mid          .20
_exptl_crystal_size_min          .16
_refine_diff_density_max         1.81
_refine_diff_density_min         -.84
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.92
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     946
_refine_ls_number_reflns         20793
_refine_ls_R_factor_all          .068
_refine_ls_R_factor_obs          .051
_refine_ls_shift/esd_max         .001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     '1/(\s^2^(F)+ .0003F^2^) '
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         .064
_refine_ls_wR_factor_obs         .058
_reflns_number_observed          20809
_reflns_number_total             25647
_reflns_observed_criterion       'Inet > 1.0\s(Inet)'
_cod_data_source_file            ic051074ksi20050629_043939_4.cif
_cod_data_source_block           compound_4
_cod_original_formula_sum        'C66 H62.50 B F25.50 N2 O P2 Ru '
_cod_database_code               4310032