Synthesis of Rare-Earth Metal Complexes Based on Quinolinyl-Functionalized Cyclopenta[b]Indoles and Their Catalytic Performance in the Polymerization of Ortho-Methoxystyrene and Its Derivatives
Chen, Wentao; Qiu, Feng-Yi; Guo, Keyue; Zhou, Yanhong; Tian, Haoran; Hu, Hongfan; Shi, Xiaochao; Dalton Transactions  (2026) –; doi:10.1039/D6DT00571C

data_7720877
_publ_section_title
;
 Synthesis of rare-earth metal complexes based on
 quinolinyl-functionalized cyclopenta[<i>b</i>]indoles and their catalytic
 performance in the polymerization of <i>ortho</i>-methoxystyrene and its
 derivatives.
;
_journal_issue                   18
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7357
_journal_page_last               7364
_journal_paper_doi               10.1039/d6dt00571c
_journal_volume                  55
_journal_year                    2026
_chemical_formula_moiety         'C30 H39 N2 Sc Si2'
_chemical_formula_sum            'C30 H39 N2 Sc Si2'
_chemical_formula_weight         533.824
_chemical_name_systematic        N-CH3-Sc
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_Int_Tables_number      14
_audit_creation_date             2025-12-02
_audit_creation_method
;
Olex2 1.5-beta
(compiled 2025.07.13 svn.rb7424aed for OlexSys, GUI svn.r7314)
;
_audit_update_record
;
2026-01-12 deposited with the CCDC.	2026-04-14 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 104.521(9)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.603(2)
_cell_length_b                   17.402(4)
_cell_length_c                   18.407(4)
_cell_measurement_reflns_used    3438
_cell_measurement_temperature    150.00
_cell_measurement_theta_max      25.55
_cell_measurement_theta_min      2.34
_cell_volume                     2977.8(11)
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine 1.5 (Bourhis et al., 2015)'
_diffrn_ambient_temperature      150.00
_diffrn_measured_fraction_theta_full 0.9994
_diffrn_measured_fraction_theta_max 0.9931
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1775
_diffrn_reflns_av_unetI/netI     0.1794
_diffrn_reflns_Laue_measured_fraction_full 0.9994
_diffrn_reflns_Laue_measured_fraction_max 0.9931
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            26048
_diffrn_reflns_point_group_measured_fraction_full 0.9994
_diffrn_reflns_point_group_measured_fraction_max 0.9931
_diffrn_reflns_theta_full        25.2417
_diffrn_reflns_theta_max         27.63
_diffrn_reflns_theta_min         2.20
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.347
_exptl_absorpt_correction_T_max  0.7353
_exptl_absorpt_correction_T_min  0.4722
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1773 before and 0.1203 after correction.
The Ratio of minimum to maximum transmission is 0.6422.
The \l/2 correction factor is Not present.
;
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.191
_exptl_crystal_description       needle
_exptl_crystal_F_000             1150.213
_exptl_crystal_preparation       1
_exptl_crystal_recrystallization_method 1
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.7789
_refine_diff_density_min         -0.9967
_refine_diff_density_rms         0.2073
_refine_ls_d_res_high            0.7664
_refine_ls_d_res_low             9.2475
_refine_ls_goodness_of_fit_ref   0.9671
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_constraints    57
_refine_ls_number_parameters     332
_refine_ls_number_reflns         6879
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.9671
_refine_ls_R_factor_all          0.1522
_refine_ls_R_factor_gt           0.0945
_refine_ls_shift/su_max          -0.0001
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1486P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2265
_refine_ls_wR_factor_ref         0.2792
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              9
_reflns_limit_h_min              -12
_reflns_limit_k_max              22
_reflns_limit_k_min              0
_reflns_limit_l_max              23
_reflns_limit_l_min              -9
_reflns_number_gt                3874
_reflns_number_total             6879
_reflns_threshold_expression     I>=2u(I)
_cod_data_source_file            d6dt00571c2.cif
_cod_data_source_block           N-CH3-Sc_a
_cod_depositor_comments          'Adding full bibliography for 7720877.cif.'
_cod_original_cell_volume        2977.8(12)
_cod_database_code               7720877
_olex2_refinement_description
;
;
_olex2_exptl_crystal_mounting_method 1
_olex2_submission_original_sample_id 1
_olex2_submission_special_instructions 'No special instructions were received'