Synthesis and characterization of group 4 metal alkoxide complexes containing imine based bis-bidentate ligands: effective catalysts for the ring opening polymerization of lactides, epoxides and polymerization of ethylene.
Roymuhury, Sagnik K.; Chakraborty, Debashis; Ramkumar, Venkatachalam; Dalton transactions (Cambridge, England : 2003) 44 (2015) 10352–10367; doi:10.1039/c5dt01092f

data_7035119
_publ_section_title
;
 Synthesis and characterization of group 4 metal alkoxide complexes
 containing imine based bis-bidentate ligands: effective catalysts for the
 ring opening polymerization of lactides, epoxides and polymerization of
 ethylene.
;
_journal_issue                   22
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10352
_journal_page_last               10367
_journal_paper_doi               10.1039/c5dt01092f
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C88 H128 N4 O8 Ti2, 4(C7 H8)'
_chemical_formula_sum            'C116 H160 N4 O8 Ti2'
_chemical_formula_weight         1834.27
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2015-04-28 deposited with the CCDC.
2015-04-28 downloaded from the CCDC.
;
_cell_angle_alpha                74.45(3)
_cell_angle_beta                 83.73(4)
_cell_angle_gamma                73.38(4)
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_cell_length_b                   15.116(11)
_cell_length_c                   16.715(12)
_cell_measurement_reflns_used    1594
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      16.74
_cell_measurement_theta_min      2.53
_cell_volume                     2686(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'SHELXL-2013 (Sheldrick, 2013)'
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_computing_structure_solution    'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.958
_diffrn_measured_fraction_theta_max 0.958
_diffrn_measurement_device_type  'Bruker APEXII CCD area detector'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1515
_diffrn_reflns_av_unetI/netI     0.2289
_diffrn_reflns_Laue_measured_fraction_full 0.958
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_diffrn_reflns_limit_k_min       -16
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_diffrn_reflns_number            24529
_diffrn_reflns_point_group_measured_fraction_full 0.958
_diffrn_reflns_point_group_measured_fraction_max 0.958
_diffrn_reflns_theta_full        23.180
_diffrn_reflns_theta_max         23.180
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_exptl_crystal_colour            colourless
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_exptl_crystal_size_min          0.120
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_refine_diff_density_min         -0.352
_refine_diff_density_rms         0.100
_refine_ls_extinction_coef       0.026(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1366P)^2^+0.2661P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2234
_refine_ls_wR_factor_ref         0.3125
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2700
_reflns_number_total             7331
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7035119--7035121.cif.'
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_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.951
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