Rare-earth metal bis(silylamide) complexes supported by mono-dentate arylamido ligand: synthesis, reactivity, and catalyst precursors in living cis-1,4-selective polymerization of isoprene.
Shi, Liqin; Su, Qi; Chen, Jue; Li, Xiaonian; Luo, Yunjie; Dalton transactions (Cambridge, England : 2003) 45 (2016) 1391–1397; doi:10.1039/c5dt03937a

data_7037499
_publ_section_title
;
 Rare-earth metal bis(silylamide) complexes supported by mono-dentate
 arylamido ligand: synthesis, reactivity, and catalyst precursors in
 living cis-1,4-selective polymerization of isoprene.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1391
_journal_page_last               1397
_journal_paper_doi               10.1039/c5dt03937a
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C23 H50 Al2 N Si Y'
_chemical_formula_sum            'C23 H50 Al2 N Si Y'
_chemical_formula_weight         511.60
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-10-08 deposited with the CCDC.
2015-12-02 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 112.473(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.709(4)
_cell_length_b                   12.437(3)
_cell_length_c                   17.541(5)
_cell_measurement_reflns_used    11555
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.3
_cell_measurement_theta_min      3.1
_cell_volume                     2965.2(14)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.1131
_diffrn_reflns_av_sigmaI/netI    0.0875
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            27401
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         3.09
_exptl_absorpt_coefficient_mu    2.075
_exptl_absorpt_correction_T_max  0.436
_exptl_absorpt_correction_T_min  0.210
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.146
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1096
_exptl_crystal_size_max          0.80
_exptl_crystal_size_mid          0.60
_exptl_crystal_size_min          0.40
_refine_diff_density_max         2.226
_refine_diff_density_min         -1.666
_refine_diff_density_rms         0.149
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.296
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     301
_refine_ls_number_reflns         5411
_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      1.294
_refine_ls_R_factor_all          0.1176
_refine_ls_R_factor_gt           0.1008
_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^)+(0.1075P)^2^+4.1201P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2350
_refine_ls_wR_factor_ref         0.2442
_reflns_number_gt                4697
_reflns_number_total             5411
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt03937a2.cif
_cod_data_source_block           shelxl2
_cod_depositor_comments
'Adding full bibliography for 7037498--7037500.cif.'
_cod_original_cell_volume        2965.1(14)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7037499