Hypercoordinated eka-tin materials with dangling aryl-methoxy and -methylthio ligands exhibiting intramolecular secondary bonding and aryl bond stabilization in reactions with organotin chlorides.
Ornelas, Alfredo; Arias-Ugarte, Renzo; Metta-Magaña, Alejandro J; Sharma, Hemant K.; Pannell, Keith H.; Dalton transactions (Cambridge, England : 2003) 50 (2021) 16084–16091; doi:10.1039/d1dt02781f

data_7708848
_publ_section_title
;
 Hypercoordinated eka-tin materials with dangling aryl-methoxy and
 -methylthio ligands exhibiting intramolecular secondary bonding and aryl
 bond stabilization in reactions with organotin chlorides.
;
_journal_issue                   44
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              16084
_journal_page_last               16091
_journal_paper_doi               10.1039/d1dt02781f
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'C26 H24 Pb S'
_chemical_formula_sum            'C26 H24 Pb S'
_chemical_formula_weight         575.70
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-06-01 deposited with the CCDC.	2021-10-22 downloaded from the CCDC.
;
_cell_angle_alpha                97.2220(10)
_cell_angle_beta                 95.6350(10)
_cell_angle_gamma                100.889(2)
_cell_formula_units_Z            4
_cell_length_a                   10.4230(9)
_cell_length_b                   12.2886(10)
_cell_length_c                   17.8414(15)
_cell_measurement_reflns_used    6449
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.675
_cell_measurement_theta_min      2.3195
_cell_volume                     2208.7(3)
_computing_cell_refinement       'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_data_collection       'Apex2 v2014.9-0 (Bruker AXS Inc., 2014)'
_computing_data_reduction        'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_molecular_graphics    'XP (SIEMENS, 1996)'
_computing_publication_material  'Apex3 v2018.1-0 (Bruker AXS Inc., 2018)'
_computing_structure_refinement  'SHELXL--2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXL--2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.911
_diffrn_measurement_device       'Bruker D8 SMART'
_diffrn_measurement_device_type  APEX
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0503
_diffrn_reflns_av_unetI/netI     0.0797
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.911
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            26187
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.911
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.431
_diffrn_reflns_theta_min         1.160
_diffrn_source                   'fine--focus tube'
_exptl_absorpt_coefficient_mu    7.741
_exptl_absorpt_correction_T_max  0.746
_exptl_absorpt_correction_T_min  0.43
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.731
_exptl_crystal_density_method    'Not measured'
_exptl_crystal_description       chunk
_exptl_crystal_F_000             1112
_exptl_crystal_size_max          0.154
_exptl_crystal_size_mid          0.138
_exptl_crystal_size_min          0.124
_refine_diff_density_max         3.082
_refine_diff_density_min         -1.859
_refine_diff_density_rms         0.222
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     507
_refine_ls_number_reflns         12190
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.019
_refine_ls_R_factor_all          0.0739
_refine_ls_R_factor_gt           0.0472
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0364P)^2^+4.7474P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0922
_refine_ls_wR_factor_ref         0.1088
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8828
_reflns_number_total             12190
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1dt02781f2.cif
_cod_data_source_block           1460KP_0mS_a
_cod_database_code               7708848
_shelx_shelxl_version_number     2018/3
_computing_bruker_data_scaling   'SADABS-2016/2 (Bruker AXS Inc.)'
_shelx_res_checksum              86584