Controlled iso-specific polymerization of 2-vinylpyridine catalyzed by arylamide-ligated rare-earth metal aminobenzyl complexes.
Li, Min; Wang, Chaopan; Chen, Jue; Guo, Zhiyong; Mou, Zehuai; Luo, Yunjie; Dalton transactions (Cambridge, England : 2003) 47 (2018) 15967–15976; doi:10.1039/c8dt03330g

data_7047820
_publ_section_title
;
 Controlled iso-specific polymerization of 2-vinylpyridine catalyzed by
 arylamide-ligated rare-earth metal aminobenzyl complexes.
;
_journal_issue                   44
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15967
_journal_page_last               15976
_journal_paper_doi               10.1039/c8dt03330g
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'C32 H43 Lu N4 Si'
_chemical_formula_weight         686.76
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_block_doi                 10.5517/ccdc.csd.cc20gcnj
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2018-09-24 deposited with the CCDC.
2018-10-18 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 98.531(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
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_cell_length_b                   10.9858(10)
_cell_length_c                   25.3641(19)
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_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.51
_cell_measurement_theta_min      2.28
_cell_volume                     3050.7(5)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0738
_diffrn_reflns_av_unetI/netI     0.0453
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
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_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            47549
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.546
_diffrn_reflns_theta_min         2.830
_exptl_absorpt_coefficient_mu    3.302
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.4427
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_crystal_colour            COLORLESS
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_exptl_crystal_description       BLOCK
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_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         6963
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0490
_refine_ls_R_factor_gt           0.0333
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0590P)^2^+3.4915P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0856
_refine_ls_wR_factor_ref         0.1024
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5724
_reflns_number_total             6963
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8dt03330g2.cif
_cod_data_source_block           mo_B180118a_0m
_cod_depositor_comments
'Adding full bibliography for 7047820--7047822.cif.'
_cod_database_code               7047820
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.352
_shelx_estimated_absorpt_t_max   0.558
_shelx_res_checksum              90609