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_4310031
_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         'C58 H57 B Cl2 F24 O P2 Ru '
_chemical_formula_sum            'C58 H57 B Cl2 F24 O P2 Ru'
_chemical_formula_weight         1470.77
_chemical_name_systematic
;
[(PCP)Ru(CO)(ClCH2Cl)][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                98.7273(11)
_cell_angle_beta                 106.3306(10)
_cell_angle_gamma                94.8176(11)
_cell_formula_units_Z            2
_cell_length_a                   13.4350(4)
_cell_length_b                   13.5298(4)
_cell_length_c                   17.9662(5)
_cell_measurement_reflns_used    9716
_cell_measurement_temperature    110
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      2.28
_cell_volume                     3069.99(16)
_computing_cell_refinement       SAINT
_computing_data_collection       'Bruker-Nonius Apex2 software'
_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    SHELXS
_diffrn_ambient_temperature      110
_diffrn_measurement_device       'Bruker-Nonius X8 Apex2'
_diffrn_measurement_method       'combination of 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  .043
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            125676
_diffrn_reflns_theta_max         26.74
_diffrn_reflns_theta_min         0.00
_exptl_absorpt_coefficient_mu    .51
_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            'dark orange'
_exptl_crystal_density_diffrn    1.591
_exptl_crystal_description       prism
_exptl_crystal_F_000             1483.73
_exptl_crystal_size_max          .24
_exptl_crystal_size_mid          .20
_exptl_crystal_size_min          .12
_refine_diff_density_max         1.20
_refine_diff_density_min         -.99
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.84
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     856
_refine_ls_number_reflns         11140
_refine_ls_R_factor_all          .059
_refine_ls_R_factor_obs          .049
_refine_ls_shift/esd_max         .001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     '1/(\s^2^(F)+ .0005F^2^) '
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         .069
_refine_ls_wR_factor_obs         .060
_reflns_number_observed          11140
_reflns_number_total             12983
_reflns_observed_criterion       'Inet > 1.0\s(Inet)'
_cod_data_source_file            ic051074ksi20050629_043939_3.cif
_cod_data_source_block           compound_3
_cod_original_cell_volume        3069.99(15)
_cod_original_formula_sum        'C58 H57 B Cl2 F24 O P2 Ru '
_cod_database_code               4310031