Intermediate Complexes in the Octacarbonyl Dicobalt-Initiated Living Polymerization of 3-Methyl-1,2-butadiene
Judit Sóvágó; M. Gary Newton; Evgenia A. Mushina; Ferenc Ungváry; Journal of the American Chemical Society 118 (1996) 9589–9596; doi:10.1021/ja9542404

data_4117179
_publ_section_title
;
 Intermediate Complexes in the Octacarbonyl Dicobalt-Initiated Living
 Polymerization of 3-Methyl-1,2-butadiene
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              9589
_journal_page_last               9596
_journal_paper_doi               10.1021/ja9542404
_journal_volume                  118
_journal_year                    1996
_chemical_formula_moiety         'C22 H24 Co2 O7 '
_chemical_formula_sum            'C22 H24 Co2 O7'
_chemical_formula_weight         518.29
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_audit_creation_date             'Thu Dec 21 15:21:26 1995'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 109.246(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.732(1)
_cell_length_b                   7.0943(7)
_cell_length_c                   20.284(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      40.0
_cell_measurement_theta_min      10.0
_cell_volume                     2409.0(5)
_computing_cell_refinement
'E-N CAD4 Diffractometer Diffractometer Control'
_computing_data_collection       'E-N CAD4 Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_diffrn_ambient_temperature      296.2
_diffrn_measurement_device       'scintillation PHD'
_diffrn_measurement_method       'omega/2-theta scans'
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_diffrn_orient_matrix_UB_21      0.03648
_diffrn_orient_matrix_UB_22      0.00455
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_diffrn_orient_matrix_UB_32      0.14086
_diffrn_orient_matrix_UB_33      0.00175
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           CuKalpha
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  5.47
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       23
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_diffrn_reflns_theta_max         74.91
_diffrn_standards_decay_%        -4.65
_diffrn_standards_interval_count 120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    11.118
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.737
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   psi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.429
_exptl_crystal_description       needles
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_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.35
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
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_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0447
_refine_ls_shift/esd_max         0.0235
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
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_reflns_number_observed          1288
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_cod_data_source_file            ja9542404_2.cif
_cod_data_source_block           C22H14O7Co2_Ungvary
_cod_original_cell_volume        2408.9(4)
_cod_original_sg_symbol_H-M      'P 21/a '
_cod_original_formula_sum        'C22 H24 Co2 O7 '
_cod_database_code               4117179