NBu4SH provides a convenient source of HS(-) soluble in organic solution for H2S and anion-binding research.
Hartle, Matthew D.; Meininger, Daniel J.; Zakharov, Lev N.; Tonzetich, Zachary J.; Pluth, Michael D.; Dalton transactions (Cambridge, England : 2003) 44 (2015) 19782–19785; doi:10.1039/c5dt03355a

data_7036964
_publ_section_title
;
 NBu4SH provides a convenient source of HS(-) soluble in organic solution
 for H2S and anion-binding research.
;
_journal_issue                   46
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              19782
_journal_page_last               19785
_journal_paper_doi               10.1039/c5dt03355a
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C19.5 H41 N S'
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_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2015-08-28 deposited with the CCDC.
2015-10-27 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
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_cell_measurement_temperature    173(2)
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_cell_measurement_theta_min      3.74
_cell_volume                     4277.7(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.963
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0514
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_diffrn_reflns_Laue_measured_fraction_full 0.963
_diffrn_reflns_Laue_measured_fraction_max 0.987
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_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       17
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_diffrn_reflns_limit_l_max       17
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_diffrn_reflns_number            14231
_diffrn_reflns_point_group_measured_fraction_full 0.963
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_diffrn_source                   'Incoatec I\mS'
_exptl_absorpt_coefficient_mu    1.295
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_exptl_absorpt_correction_T_min  0.6643
_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    0.999
_exptl_crystal_description       cut-block
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_exptl_crystal_size_mid          0.130
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_platon_squeeze_details
;
Solvent toluene molecule is disordred over two positions around
an inversion center. 
?
;
_refine_diff_density_max         0.565
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_refine_ls_R_factor_all          0.0934
_refine_ls_R_factor_gt           0.0741
_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^)+(0.1335P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2044
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                2589
_reflns_number_total             3729
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5dt03355a2.cif
_cod_data_source_block           cu_mplur26_0m_sqd
_cod_depositor_comments          'Adding full bibliography for 7036964.cif.'
_cod_original_cell_volume        4277.7(3)
_cod_original_formula_sum        'C19.50 H41 N S'
_cod_database_code               7036964
_shelx_estimated_absorpt_t_min   0.840
_shelx_estimated_absorpt_t_max   0.950
_platon_squeeze_void_probe_radius 1.20
_shelxl_version_number           2013-4
_shelx_res_checksum              90651