First examples of neutral and cationic indenyl nickel(ii) complexes bearing arsine or stibine ligands: highly active catalysts for the oligomerisation of styrene.
Gomes, Clara S. B.; Krishnamoorthy, Paramasivam; Silva, Leonel C.; Costa, Sandra I.; Gomes, Pedro T.; Jiménez-Tenorio, Manuel; Valerga, Pedro; Puerta, M. Carmen; Dalton transactions (Cambridge, England : 2003) 44 (2015) 17015–17019; doi:10.1039/c5dt02794b

data_7036346
_publ_section_title
;
 First examples of neutral and cationic indenyl nickel(ii) complexes
 bearing arsine or stibine ligands: highly active catalysts for the
 oligomerisation of styrene.
;
_journal_issue                   39
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              17015
_journal_page_last               17019
_journal_paper_doi               10.1039/c5dt02794b
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C27 H22 As Cl Ni'
_chemical_formula_sum            'C27 H22 As Cl Ni'
_chemical_formula_weight         515.53
_chemical_name_common            '[Ni(\h^3^-C~9~H~7~)(Cl)(AsPh~3~)]'
_chemical_name_systematic
;
(tri-hapto-indenyl)-chloro-triphenylarsine-nickel (II)
;
_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
_audit_update_record
;
2015-07-24 deposited with the CCDC.
2015-09-01 downloaded from the CCDC.
;
_cell_angle_alpha                66.647(2)
_cell_angle_beta                 83.975(2)
_cell_angle_gamma                89.327(3)
_cell_formula_units_Z            4
_cell_length_a                   10.0199(12)
_cell_length_b                   14.4995(17)
_cell_length_c                   16.754(2)
_cell_measurement_reflns_used    4760
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.053
_cell_measurement_theta_min      2.315
_cell_volume                     2221.1(5)
_computing_cell_refinement       'Bruker SAINT +'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT +, SADABS, XPREP'
_computing_molecular_graphics    'ORTEP-3 vers. 1.076 (L.J. Farruggia, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.973
_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  0.0360
_diffrn_reflns_av_sigmaI/netI    0.0578
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            15658
_diffrn_reflns_theta_full        25.13
_diffrn_reflns_theta_max         25.13
_diffrn_reflns_theta_min         1.33
_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_type              'Bruker SMART APEX'
_diffrn_standards_decay_%        0.0001
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.484
_exptl_absorpt_correction_T_max  0.761
_exptl_absorpt_correction_T_min  0.495
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'semi-empirical from equiv.(prg.SADABS)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.542
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1048
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.553
_refine_diff_density_min         -0.590
_refine_diff_density_rms         0.117
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     541
_refine_ls_number_reflns         7713
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.074
_refine_ls_R_factor_all          0.0631
_refine_ls_R_factor_gt           0.0577
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0433P)^2^+10.6755P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1272
_refine_ls_wR_factor_ref         0.1308
_reflns_number_gt                7080
_reflns_number_total             7713
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt02794b2.cif
_cod_data_source_block           pv0421
_cod_depositor_comments          'Adding full bibliography for 7036346.cif.'
_cod_original_cell_volume        2221.2(5)
_cod_database_code               7036346
_audit_block_doi                 10.5517/ccsn2l2