Ethylene Polymerization by Niobium(V)N,N-Dialkylcarbamates Activated with Aluminum Co-catalysts
Marchetti, Fabio; Pampaloni, Guido; Patil, Yogesh; Galletti, Anna Maria Raspolli; Renili, Filippo; Zacchini, Stefano; Organometallics 30 (2011) 1682–; doi:10.1021/om101187k

data_4064224
_publ_section_title
;
 Ethylene Polymerization by Niobium(V)N,N-Dialkylcarbamates Activated with
 Aluminum Co-catalysts
;
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1682
_journal_paper_doi               10.1021/om101187k
_journal_volume                  30
_journal_year                    2011
_chemical_formula_sum            'C38 H74 Al3 Cl13 N6 O12'
_chemical_formula_weight         1348.82
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2010-10-27 # Formatted by publCIF
;
_cell_angle_alpha                71.430(2)
_cell_angle_beta                 68.020(2)
_cell_angle_gamma                75.711(2)
_cell_formula_units_Z            1
_cell_length_a                   10.7400(17)
_cell_length_b                   12.601(2)
_cell_length_c                   13.359(2)
_cell_measurement_temperature    100(2)
_cell_volume                     1572.4(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0769
_diffrn_reflns_av_sigmaI/netI    0.1061
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            16267
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.70
_exptl_absorpt_coefficient_mu    0.667
_exptl_absorpt_correction_T_max  0.9242
_exptl_absorpt_correction_T_min  0.8837
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.424
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             700
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.403
_refine_diff_density_min         -0.401
_refine_diff_density_rms         0.085
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     335
_refine_ls_number_reflns         6153
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.010
_refine_ls_R_factor_all          0.1194
_refine_ls_R_factor_gt           0.0581
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0589P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1238
_refine_ls_wR_factor_ref         0.1477
_reflns_number_gt                3468
_reflns_number_total             6153
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om101187k_si_002.cif
_cod_data_source_block           p-1
_cod_original_cell_volume        1572.3(4)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4064224