Hetero-bimetallic Complexes of Titanatranes with Aluminum Alkyls: Synthesis, Structural Analysis, and Their Use in Catalysis for Ethylene Polymerization
Gurubasavaraj, Prabhuodeyara M.; Nomura, Kotohiro; Organometallics 29 (2010) 3500–; doi:10.1021/om100119g

data_4065775
_publ_section_title
;
 Hetero-bimetallic Complexes of Titanatranes with Aluminum Alkyls:
 Synthesis, Structural Analysis, and Their Use in Catalysis for Ethylene
 Polymerization
;
_journal_issue                   16
_journal_name_full               Organometallics
_journal_page_first              3500
_journal_paper_doi               10.1021/om100119g
_journal_volume                  29
_journal_year                    2010
_chemical_formula_moiety         'C36 H52 Al N O4 Ti '
_chemical_formula_sum            'C36 H52 Al N O4 Ti'
_chemical_formula_weight         637.69
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                93.673(3)
_cell_angle_beta                 92.039(3)
_cell_angle_gamma                102.274(3)
_cell_formula_units_Z            2
_cell_length_a                   9.5016(11)
_cell_length_b                   10.2879(12)
_cell_length_c                   18.176(2)
_cell_measurement_reflns_used    4716
_cell_measurement_temperature    113.1
_cell_measurement_theta_max      23.2
_cell_measurement_theta_min      3.1
_cell_volume                     1730.3(3)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      113.1
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.118
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            11351
_diffrn_reflns_theta_full        23.24
_diffrn_reflns_theta_max         23.24
_exptl_absorpt_coefficient_mu    0.310
_exptl_absorpt_correction_T_max  0.994
_exptl_absorpt_correction_T_min  0.363
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.224
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             684.00
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.49
_refine_diff_density_min         -0.56
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     389
_refine_ls_number_reflns         4930
_refine_ls_R_factor_gt           0.0868
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0854P)^2^+1.7328P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2186
_reflns_number_gt                2788
_reflns_number_total             4930
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om100119g_si_002.cif
_cod_data_source_block           '_GMeTriTiAlEt'
_cod_original_cell_volume        1730.4(4)
_cod_original_formula_sum        'C36 H52 Al N O4 Ti '
_cod_database_code               4065775