Polymerization of Phenylacetylenes Using Rhodium Catalysts Coordinated by Norbornadiene Linked to a Phosphino or Amino Group
Onishi, Naoya; Shiotsuki, Masashi; Masuda, Toshio; Sano, Natsuhiro; Sanda, Fumio; Organometallics 32 (2013) 846–; doi:10.1021/om301147n

data_4080000
_publ_section_title
;
 Polymerization of Phenylacetylenes Using Rhodium Catalysts Coordinated by
 Norbornadiene Linked to a Phosphino or Amino Group
;
_journal_issue                   3
_journal_name_full               Organometallics
_journal_page_first              846
_journal_paper_doi               10.1021/om301147n
_journal_volume                  32
_journal_year                    2013
_chemical_formula_moiety         'C43 H40 P Rh '
_chemical_formula_sum            'C43 H40 P Rh'
_chemical_formula_weight         690.67
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 103.159(2)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   9.8642(16)
_cell_length_b                   33.579(5)
_cell_length_c                   10.1044(16)
_cell_measurement_reflns_used    9711
_cell_measurement_temperature    293.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     3259.0(9)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 14.63
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.039
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       43
_diffrn_reflns_limit_k_min       -43
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            24290
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_exptl_absorpt_coefficient_mu    0.603
_exptl_absorpt_correction_T_max  0.886
_exptl_absorpt_correction_T_min  0.756
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.408
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1432.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.22
_refine_diff_density_min         -3.25
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     446
_refine_ls_number_reflns         21104
_refine_ls_R_factor_gt           0.0452
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
    Chebychev polynomial with 3 parameters (Carruthers & Watkin, 1979)
    10.2644    -3.0148    6.5774
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0536
_reflns_number_gt                21014
_reflns_number_total             7317
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om301147n_si_002.cif
_cod_data_source_block           '__Shiotsuki20100902Onishi'
_cod_original_formula_sum        'C43 H40 P Rh '
_cod_database_code               4080000