Copolymerization of Ethylene with Propylene and Higher α-Olefins Catalyzed by (Imido)vanadium(IV) Dichloride Complexes
Zanchin, Giorgia; Bertini, Fabio; Vendier, Laure; Ricci, Giovanni; Lorber, Christian; Leone, Giuseppe; Polymer Chemistry  (2019) –; doi:10.1039/C9PY01415B

data_1552542
_publ_section_title
;
 Copolymerization of Ethylene with Propylene and Higher \a-Olefins
 Catalyzed by (Imido)vanadium(IV) Dichloride Complexes
;
_journal_name_full               'Polymer Chemistry'
_journal_paper_doi               10.1039/C9PY01415B
_journal_year                    2019
_chemical_absolute_configuration unk
_chemical_formula_moiety         'C8 H23 Cl2 N3 V'
_chemical_formula_sum            'C8 H23 Cl2 N3 V'
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_symmetry_cell_setting           monoclinic
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_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2019-07-09T13:27:00-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2019-07-15 deposited with the CCDC.    2019-10-29 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 126.55(3)
_cell_angle_gamma                90
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_cell_length_c                   12.098(2)
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_cell_measurement_temperature    180(2)
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_cell_measurement_theta_min      2
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_computing_structure_refinement  'SHELXL-2016/4 (Sheldrick, 2016)'
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_diffrn_measured_fraction_theta_max 0.928
_diffrn_measurement_device_type  'Oxford-Diffraction XCALIBUR'
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_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_av_unetI/netI     0.059
_diffrn_reflns_Laue_measured_fraction_full 0.996
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_diffrn_reflns_point_group_measured_fraction_full 0.996
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_diffrn_reflns_theta_max         32.189
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_exptl_absorpt_coefficient_mu    0.98
_exptl_absorpt_correction_T_max  0.7490
_exptl_absorpt_correction_T_min  0.3140
_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_process_details
;
(See: Walker, N. & Stuart, D. (1983) Acta Cryst. A39, 158-166)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.238
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
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;
 Refined as an inversion twin.
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_refine_ls_abs_structure_Flack   0.62(8)
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         4408
_refine_ls_number_restraints     32
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_refine_ls_shift/su_max          0.001
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0619P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1078
_refine_ls_wR_factor_ref         0.1247
_reflns_Friedel_coverage         0.998
_reflns_Friedel_fraction_full    0.996
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_reflns_number_gt                2205
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9py01415b2.cif
_cod_data_source_block           cl511
_cod_original_cell_volume        1519.5(7)
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               1552542
_shelx_shelxl_version_number     2016/4
_publcif_funding_html
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