Addition Polymerization of Norbornene-Type Monomers. High Activity Cationic Allyl Palladium Catalysts
Lipian, John; Mimna, Richard A.; Fondran, John C.; Yandulov, Dmitry; Shick, Robert A.; Goodall, Brian L.; Rhodes, Larry F.; Huffman, John C.; Macromolecules 35 (2002) 8969–; doi:10.1021/ma0209287

data_1507423
_publ_section_title
;
 Addition Polymerization of Norbornene-Type Monomers. High Activity
 Cationic Allyl Palladium Catalysts
;
_journal_issue                   24
_journal_name_full               Macromolecules
_journal_page_first              8969
_journal_paper_doi               10.1021/ma0209287
_journal_volume                  35
_journal_year                    2002
_chemical_formula_sum            'C25 H26 F3 O3 P Pd S'
_chemical_formula_weight         600.935
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_method
'minor manual editing of SDT2CIF v. 1.0 BETA  output'
_cell_angle_alpha                90
_cell_angle_beta                 93.567(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.1345(10)
_cell_length_b                   11.6290(10)
_cell_length_c                   19.3612(18)
_cell_measurement_reflns_used    86
_cell_measurement_temperature    102
_cell_measurement_theta_max      11.37
_cell_measurement_theta_min      10.57
_cell_volume                     2502.1(4)
_computing_cell_refinement       'XTEL, local package'
_computing_data_collection       'NPS, local program'
_computing_data_reduction        'XTEL, local package'
_computing_molecular_graphics    'XTEL, local package'
_computing_publication_material  'XTEL, local package'
_computing_structure_refinement  'XTEL, local package'
_computing_structure_solution    MULTAN78
_diffrn_ambient_temperature      102
_diffrn_measured_fraction_theta_full 0
_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_device_type  'refurbished Picker diffractometer'
_diffrn_measurement_method       '\q/2\q scans'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.014
_diffrn_reflns_limit_h_max       4
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            4774
_diffrn_reflns_theta_full        0
_diffrn_reflns_theta_max         25.0015
_diffrn_reflns_theta_min         3.2238
_diffrn_standards_decay_%        0.9
_diffrn_standards_interval_count 316
_diffrn_standards_number         4
_exptl_absorpt_coefficient_mu    0.9369
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   none
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.595
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'irregular fragment'
_exptl_crystal_F_000             1216
_exptl_crystal_size_max          .17
_exptl_crystal_size_mid          .14
_exptl_crystal_size_min          .14
_refine_diff_density_max         0.43
_refine_diff_density_min         -0.44
_refine_ls_abs_structure_details none
_refine_ls_extinction_coef       0.00000058(6)
_refine_ls_extinction_expression
;                                                                               
Larson, A. C. (1967).  Acta Cryst. 23, p. 664.  Eq. (3)                         
;
_refine_ls_extinction_method     Zachariasen
_refine_ls_goodness_of_fit_ref   1.4442
_refine_ls_hydrogen_treatment    'isotropic refinement'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     430
_refine_ls_number_reflns         3883
_refine_ls_R_factor_gt           0.0286
_refine_ls_shift/su_max          0.32
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w^-1^=\s^2^(F)+(.03F)^2^
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.03
_reflns_number_gt                3745
_reflns_number_total             4392
_reflns_threshold_expression     F^2^>2.33\s(F^2^)
_cod_data_source_file            ma0209287.cif
_cod_data_source_block           MSC98701
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C25 H26 F3 O3 P1 Pd1 S1'
_cod_database_code               1507423