Synthesis, Isolation and Characterization of a Stable Lithium Stannenolate. A Keto or an Enol Tautomer?
Bashkurov, Roman; Fridman, Natalia; Bravo-Zhivotovskii, Dmitry; apeloig, yitzhak; Dalton Transactions  (2021) –; doi:10.1039/D1DT02843J

data_7708287
_publ_section_title
;
 Synthesis, Isolation and Characterization of a Stable Lithium
 Stannenolate. A Keto or an Enol Tautomer?
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D1DT02843J
_journal_year                    2021
_chemical_formula_moiety         'C37 H73 Li O5 Si2 Sn'
_chemical_formula_sum            'C37 H73 Li O5 Si2 Sn'
_chemical_formula_weight         779.76
_chemical_name_common            'Dimitry820b (Roman)'
_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'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2021-07-13 deposited with the CCDC.	2021-09-13 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 117.180(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.164(6)
_cell_length_b                   11.224(4)
_cell_length_c                   20.735(6)
_cell_measurement_reflns_used    6523
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      24.174
_cell_measurement_theta_min      2.124
_cell_volume                     4175(2)
_computing_cell_refinement       'APEX2 v2010.7-0 (Bruker AXS)'
_computing_data_collection       'Bruker Instrument Service v2010.7.0.0'
_computing_data_reduction        'SAINT V7.68A (Bruker AXS, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_diffrn_ambient_temperature      200(2)
_diffrn_detector_area_resol_mean 95
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'APEX2 (Bruker AXS)'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1127
_diffrn_reflns_av_unetI/netI     0.1158
_diffrn_reflns_Laue_measured_fraction_full 0.985
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            26228
_diffrn_reflns_point_group_measured_fraction_full 0.985
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_theta_full        24.174
_diffrn_reflns_theta_max         24.174
_diffrn_reflns_theta_min         2.124
_exptl_absorpt_coefficient_mu    0.706
_exptl_absorpt_correction_T_max  0.919
_exptl_absorpt_correction_T_min  0.863
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2008/1 (Bruker AXS)'
_exptl_crystal_colour            violet
_exptl_crystal_density_diffrn    1.241
_exptl_crystal_description       plate
_exptl_crystal_F_000             1664
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.090
_refine_diff_density_max         0.999
_refine_diff_density_min         -0.805
_refine_diff_density_rms         0.095
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.975
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     429
_refine_ls_number_reflns         6523
_refine_ls_number_restraints     416
_refine_ls_restrained_S_all      0.949
_refine_ls_R_factor_all          0.1067
_refine_ls_R_factor_gt           0.0453
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0322P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0820
_refine_ls_wR_factor_ref         0.1025
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3970
_reflns_number_total             6523
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1dt02843j2.cif
_cod_data_source_block           Dimitry820b
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7708287
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.883
_shelx_estimated_absorpt_t_max   0.939
_shelx_res_checksum              38986