Asymmetric Polymerization of Achiral Arylacetylenes Giving Helical Polyacetylenes in the Presence of a Rhodium Catalyst with aC2-Symmetric Tetrafluorobenzobarrelene Ligand
Nishimura, Takahiro; Ichikawa, Yoshitaka; Hayashi, Tamio; Onishi, Naoya; Shiotsuki, Masashi; Masuda, Toshio; Organometallics 28 (2009) 4890–; doi:10.1021/om9003797

data_4069714
_publ_section_title
;
 Asymmetric Polymerization of Achiral Arylacetylenes Giving Helical
 Polyacetylenes in the Presence of a Rhodium Catalyst with aC2-Symmetric
 Tetrafluorobenzobarrelene Ligand
;
_journal_issue                   16
_journal_name_full               Organometallics
_journal_page_first              4890
_journal_paper_doi               10.1021/om9003797
_journal_volume                  28
_journal_year                    2009
_chemical_formula_moiety         'C28 H20 Cl2 F8 Rh2 '
_chemical_formula_sum            'C28 H20 Cl2 F8 Rh2'
_chemical_formula_weight         785.17
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 100.076(18)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   7.474(3)
_cell_length_b                   12.640(3)
_cell_length_c                   14.163(5)
_cell_measurement_reflns_used    12929
_cell_measurement_temperature    123.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.2
_cell_volume                     1317.4(8)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR97
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.020
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            13050
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.47
_exptl_absorpt_coefficient_mu    1.527
_exptl_absorpt_correction_T_max  0.632
_exptl_absorpt_correction_T_min  0.554
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.979
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             768.00
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.58
_refine_diff_density_min         -0.77
_refine_ls_abs_structure_details
'Flack, H. D. (1983), Acta Cryst. A39, 876-881.  2831 Friedel Pairs'
_refine_ls_abs_structure_Flack   0.076(19)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.678
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     362
_refine_ls_number_reflns         5981
_refine_ls_R_factor_gt           0.0225
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0748
_reflns_number_gt                5887
_reflns_number_total             5981
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om9003797_si_001.cif
_cod_data_source_block           '_80611yuki'
_cod_original_cell_volume        1317.5(8)
_cod_original_formula_sum        'C28 H20 Cl2 F8 Rh2 '
_cod_database_code               4069714