Bis[μ-2-(phenylsulfanyl)anilido-κ^2^<i>N</i>:<i>N</i>]bis[bis(tetrahydrofuran-κ<i>O</i>)lithium]
Mdluli, Velabo; Golen, James A.; Manke, David R.; IUCrData 1 (2016) x160130–; doi:10.1107/S2414314616001309

data_1542469
_publ_section_title
;
 Bis[\m-2-(phenylsulfanyl)anilido-\k^2^<i>N</i>:<i>N</i>]bis[bis(tetrahydrofuran-\k<i>O</i>)lithium]
;
_journal_coeditor_code           WM4006
_journal_issue                   1
_journal_name_full               IUCrData
_journal_page_first              x160130
_journal_paper_doi               10.1107/S2414314616001309
_journal_volume                  1
_journal_year                    2016
_chemical_formula_iupac          '[Li2 (C12 H10 N S)2 (C4 H8 O)4]'
_chemical_formula_moiety         'C40 H52 Li2 N2 O4 S2'
_chemical_formula_sum            'C40 H52 Li2 N2 O4 S2'
_chemical_formula_weight         702.83
_chemical_name_systematic
Bis[\m-2-(phenylsulfanyl)anilido-\k^2^<i>N</i>:<i>N</i>]bis[bis(tetrahydrofuran-\k<i>O</i>)lithium]
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method
;
Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;
_cell_angle_alpha                73.537(3)
_cell_angle_beta                 88.138(3)
_cell_angle_gamma                72.420(3)
_cell_formula_units_Z            1
_cell_length_a                   9.6540(7)
_cell_length_b                   9.9211(6)
_cell_length_c                   11.2854(8)
_cell_measurement_reflns_used    9896
_cell_measurement_temperature    200.0
_cell_measurement_theta_max      25.41
_cell_measurement_theta_min      2.83
_cell_volume                     986.50(12)
_computing_cell_refinement
;
SAINT (Bruker, 2014)
;
_computing_data_collection
;
APEX2 (Bruker, 2014)
;
_computing_data_reduction
;
SAINT (Bruker, 2014)
;
_computing_molecular_graphics
;
<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
;
_computing_publication_material
;
<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009) and publCIF (Westrip,
2010)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      200.0
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker D8 Venture CMOS'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  TRIUMPH
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0275
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            28827
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.419
_diffrn_reflns_theta_min         2.826
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.175
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.7174
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(<i>SADABS</i>; Bruker, 2014)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.183
_exptl_crystal_description       block
_exptl_crystal_F_000             376
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.3
_refine_diff_density_max         0.309
_refine_diff_density_min         -0.286
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     249
_refine_ls_number_reflns         3607
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0499
_refine_ls_R_factor_gt           0.0419
_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^)+(0.0453P)^2^+0.5014P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1022
_refine_ls_wR_factor_ref         0.1105
_reflns_number_gt                3140
_reflns_number_total             3607
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            wm4006sup1.cif
_cod_data_source_block           I
_cod_depositor_comments          'Adding full bibliography for 1542469.cif.'
_cod_database_code               1542469
_cod_database_fobs_code          1542469
_shelx_estimated_absorpt_t_min   0.917
_shelx_estimated_absorpt_t_max   0.949
_shelx_hkl_checksum              41004
_shelx_res_checksum              39269
_shelxl_version_number           2014/6