Synthesis and X-ray Structure of CoCl2(PiPrPh2)2. A New Highly Active and Stereospecific Catalyst for 1,2 Polymerization of Conjugated Dienes When Used in Association with MAO
Ricci, Giovanni; Forni, Alessandra; Boglia, Aldo; Motta, Tiziano; Zannoni, Giulio; Canetti, Maurizio; Bertini, Fabio; Macromolecules 38 (2005) 1064–; doi:10.1021/ma0476083

data_1506416
_publ_section_title
;
 Synthesis and X-ray Structure of CoCl2(PiPrPh2)2. A New Highly Active and
 Stereospecific Catalyst for 1,2 Polymerization of Conjugated Dienes When
 Used in Association with MAO
;
_journal_issue                   4
_journal_name_full               Macromolecules
_journal_page_first              1064
_journal_paper_doi               10.1021/ma0476083
_journal_volume                  38
_journal_year                    2005
_chemical_formula_moiety         'C30 H34 Cl2 Co P2'
_chemical_formula_sum            'C30 H34 Cl2 Co P2'
_chemical_formula_weight         586.34
_chemical_name_systematic
; 
Dichlorobis(isopropyldiphenylphosphine)cobalt(II) 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 99.607(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.082(2)
_cell_length_b                   16.191(3)
_cell_length_c                   17.047(4)
_cell_measurement_reflns_used    5306
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.93
_cell_measurement_theta_min      2.25
_cell_volume                     3015.8(11)
_computing_cell_refinement       'SAINT (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    "'ORTEP III ( Burnett&Johnson, 1996)"
_computing_publication_material  'SHELXL-97,PARST (Nardelli, 1995)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare et al.,1994)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.967
_diffrn_measured_fraction_theta_max 0.967
_diffrn_measurement_device_type  'Bruker SMART APEX'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0376
_diffrn_reflns_av_sigmaI/netI    0.0324
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            40775
_diffrn_reflns_theta_full        29.00
_diffrn_reflns_theta_max         29.00
_diffrn_reflns_theta_min         1.75
_diffrn_standards_decay_%        0.00
_exptl_absorpt_coefficient_mu    0.869
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8671
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
SADABS, Bruker, 1997
;
_exptl_crystal_colour            'light blue'
_exptl_crystal_density_diffrn    1.291
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'rhombic prism'
_exptl_crystal_F_000             1220
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.411
_refine_diff_density_min         -0.256
_refine_diff_density_rms         0.058
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.116
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     316
_refine_ls_number_reflns         8013
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.116
_refine_ls_R_factor_all          0.0652
_refine_ls_R_factor_gt           0.0493
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0470P)^2^+0.6339P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1034
_refine_ls_wR_factor_ref         0.1101
_reflns_number_gt                6352
_reflns_number_total             8013
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ma0476083si20041119_100221.cif
_cod_data_source_block           (I)
_cod_original_cell_volume        3015.9(11)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1506416