Regioselective nucleophilic addition of triphenylphosphine to the nitrosylruthenium alkynyl complexes having a hydrotris(pyrazol-1-yl)borate: formation of phosphonio-alkenyl, alkynyl, and allenyl species.
Nishimura, Yoshimasa; Arikawa, Yasuhiro; Inoue, Takanori; Onishi, Masayoshi; Dalton transactions (Cambridge, England : 2003)  (2005) 930–937; doi:10.1039/b415483e

data_7008009
_publ_section_title
;
 Regioselective nucleophilic addition of triphenylphosphine to the
 nitrosylruthenium alkynyl complexes having a
 hydrotris(pyrazol-1-yl)borate: formation of phosphonio-alkenyl,
 alkynyl, and allenyl species.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              930
_journal_page_last               937
_journal_paper_doi               10.1039/b415483e
_journal_year                    2005
_chemical_formula_moiety         'C35 H31 B Cl N7 O P Ru, B F4 '
_chemical_formula_sum            'C35 H31 B2 Cl F4 N7 O P Ru'
_chemical_formula_weight         830.79
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 112.3862(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.641(2)
_cell_length_b                   10.1468(7)
_cell_length_c                   20.1828(4)
_cell_measurement_reflns_used    7
_cell_measurement_temperature    296.2
_cell_volume                     3719.2(5)
_computing_cell_refinement       D*TREK
_computing_data_collection       D*TREK
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 0.9782
_diffrn_measured_fraction_theta_max 0.9782
_diffrn_measurement_device_type  'Quantum CCD/Rigaku AFC7'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.030
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            32298
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_exptl_absorpt_coefficient_mu    0.596
_exptl_absorpt_correction_T_max  0.942
_exptl_absorpt_correction_T_min  0.779
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Jacobson, 1998)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.484
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_size_max          0.600
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.49
_refine_diff_density_min         -0.47
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     469
_refine_ls_number_reflns         8359
_refine_ls_R_factor_gt           0.0319
_refine_ls_shift/su_max          0.0014
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.02000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0714
_reflns_number_gt                5847
_reflns_number_total             8360
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b415483e.txt
_cod_data_source_block           0416
_cod_original_cell_volume        3719.1(4)
_cod_original_formula_sum        'C35 H31 B2 Cl F4 N7 O P Ru '
_cod_database_code               7008009