Expanding the limits of catalysts with low-valent main-group elements for the hydroboration of aldehydes and ketones using [L<sup>†</sup>Sn(ii)][OTf] (L<sup>†</sup> = aminotroponate; OTf = triflate).
Sharma, Mahendra Kumar; Ansari, Mursaleem; Mahawar, Pritam; Rajaraman, Gopalan; Nagendran, Selvarajan; Dalton transactions (Cambridge, England : 2003) 48 (2019) 664–672; doi:10.1039/c8dt02857e

data_7048078
_publ_section_title
;
 Expanding the limits of catalysts with low-valent main-group elements for
 the hydroboration of aldehydes and ketones using
 [L<sup>&#x2020;</sup>Sn(ii)][OTf] (L<sup>&#x2020;</sup> = aminotroponate;
 OTf = triflate).
;
_journal_issue                   2
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              664
_journal_page_last               672
_journal_paper_doi               10.1039/c8dt02857e
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C12 H14 F3 N O4 S Sn'
_chemical_formula_sum            'C12 H14 F3 N O4 S Sn'
_chemical_formula_weight         444.01
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2018-06-11 deposited with the CCDC.
2018-11-12 downloaded from the CCDC.
;
_cell_angle_alpha                81.041(5)
_cell_angle_beta                 79.279(6)
_cell_angle_gamma                72.687(5)
_cell_formula_units_Z            2
_cell_length_a                   5.9965(18)
_cell_length_b                   9.897(3)
_cell_length_c                   13.761(4)
_cell_measurement_reflns_used    1618
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.12
_cell_measurement_theta_min      2.51
_cell_volume                     761.7(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.968
_diffrn_measured_fraction_theta_max 0.968
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0442
_diffrn_reflns_av_sigmaI/netI    0.0857
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -4
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            3811
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.51
_exptl_absorpt_coefficient_mu    1.862
_exptl_absorpt_correction_T_max  0.714
_exptl_absorpt_correction_T_min  0.488
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.936
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             436.0
_exptl_crystal_size_max          0.391
_exptl_crystal_size_mid          0.351
_exptl_crystal_size_min          0.181
_refine_diff_density_max         3.088
_refine_diff_density_min         -1.704
_refine_diff_density_rms         0.331
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     201
_refine_ls_number_reflns         2690
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.070
_refine_ls_R_factor_all          0.0883
_refine_ls_R_factor_gt           0.0812
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.022
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1278P)^2^+16.3229P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2228
_refine_ls_wR_factor_ref         0.2326
_reflns_number_gt                2398
_reflns_number_total             2605
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c8dt02857e2.cif
_cod_data_source_block           mssh12m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7048077--7048078.cif.
;
_cod_database_code               7048078