Oligomerization of styrenes mediated by cationic allyl nickel complexes containing triphenylstibine or triphenylarsine
Jiménez-Tenorio, Manuel; Carmen Puerta, M.; Salcedo, Isabel; Valerga, Pedro; de los Ríos, Isaac; Mereiter, Kurt; Dalton Transactions  (2009) 1842–1852; doi:10.1039/b818784c

data_7000672
_publ_section_title
;
 Oligomerization of styrenes mediated by cationic allyl nickel
 complexes containing triphenylstibine or triphenylarsine
;
_journal_issue                   10
_journal_name_full               'Dalton Transactions'
_journal_page_first              1842
_journal_page_last               1852
_journal_paper_doi               10.1039/b818784c
_journal_year                    2009
_chemical_formula_moiety         'C39 H35 Ni P1.54 Sb0.46, C32 H12 B F24'
_chemical_formula_sum            'C71 H47 B F24 Ni P1.54 Sb0.46'
_chemical_formula_weight         1529.56
_chemical_name_common
;
(eta$3!-allyl)-bis(triphenylphosphine)-nickel (ii)
tetrakis(3,5-bis(trifluoromethyl)phenyl)borate and (eta$3!-allyl)-
(triphenylstibine)-(triphenylphosphine)-nickel (ii) tetrakis(3,5-
bis(trifluoromethyl)phenyl)borate
;
_chemical_name_systematic
;
(\h^3^-allyl)-bis(triphenylphosphine)-nickel (II)
tetrakis(3,5-bis(trifluoromethyl)phenyl)borate
and
(\h^3^-allyl)-(triphenylstibine)-(triphenylphosphine)-nickel (II)
tetrakis(3,5-bis(trifluoromethyl)phenyl)borate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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                75.09(3)
_cell_angle_beta                 81.42(3)
_cell_angle_gamma                88.28(3)
_cell_formula_units_Z            2
_cell_length_a                   13.093(3)
_cell_length_b                   14.560(3)
_cell_length_c                   17.565(4)
_cell_measurement_reflns_used    2983
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      20.968
_cell_measurement_theta_min      2.379
_cell_volume                     3199.4(13)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT (Bruker, 2001)'
_computing_molecular_graphics    'ORTEP-3 vers. 1.08 (Faruggia, 2005)'
_computing_publication_material  'SHELXTL (Sheldrick, 2001)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2001)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2001)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker SMART APEX CCD area detector'
_diffrn_measurement_method       '1700 omega scan frames, 0.3 deg, 10 sec'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0483
_diffrn_reflns_av_sigmaI/netI    0.0756
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            19259
_diffrn_reflns_theta_full        23.26
_diffrn_reflns_theta_max         23.26
_diffrn_reflns_theta_min         1.45
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_type              'Bruker SMART APEX'
_diffrn_standards_decay_%        0.0032
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.647
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.908
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2004)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.588
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1537.3
_exptl_crystal_size_max          0.47
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.421
_refine_diff_density_min         -0.817
_refine_diff_density_rms         0.088
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     904
_refine_ls_number_reflns         9068
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.077
_refine_ls_R_factor_all          0.0937
_refine_ls_R_factor_gt           0.0772
_refine_ls_shift/su_max          0.073
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0295P)^2^+18.7721P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1448
_refine_ls_wR_factor_ref         0.1535
_reflns_number_gt                7736
_reflns_number_total             9068
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b818784c.txt
_cod_data_source_block           pv0618
_cod_database_code               7000672