Synthesis and Crystal Structures of the First Antimony(III) Aziridinides.
Harmgarth, Nicole; Liebing, Phil; Zörner, Florian; Silinskas, Mindaugas; Burte, Edmund P.; Edelmann, Frank T.; Inorganic chemistry 56 (2017) 4267–4270; doi:10.1021/acs.inorgchem.7b00523

data_4349436
_publ_section_title
;
 Synthesis and Crystal Structures of the First Antimony(III) Aziridinides.
;
_journal_issue                   8
_journal_name_full               'Inorganic chemistry'
_journal_page_first              4267
_journal_page_last               4270
_journal_paper_doi               10.1021/acs.inorgchem.7b00523
_journal_volume                  56
_journal_year                    2017
_chemical_formula_moiety         'C16 H32 Cl2 Li3 N4 O2 Sb, C4 H8 O'
_chemical_formula_sum            'C20 H40 Cl2 Li3 N4 O3 Sb'
_chemical_formula_weight         598.03
_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     heavy
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2016/4
_cell_angle_alpha                102.187(3)
_cell_angle_beta                 111.543(3)
_cell_angle_gamma                107.316(3)
_cell_formula_units_Z            2
_cell_length_a                   11.5142(5)
_cell_length_b                   12.0844(5)
_cell_length_c                   12.4101(5)
_cell_measurement_reflns_used    16064
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      29.167
_cell_measurement_theta_min      1.894
_cell_volume                     1430.06(12)
_computing_cell_refinement       'X-Area (STOE & Cie, 2002)'
_computing_data_collection       'X-Area (STOE & Cie, 2002)'
_computing_data_reduction        'X-Area and X-Red (STOE & Cie, 2002)'
_computing_molecular_graphics    'Diamond (Brandenburg, 1999)'
_computing_publication_material  'SHELXL-2016/4 (Sheldrick, 2016)'
_computing_structure_refinement  'SHELXL-2016/4 (Sheldrick, 2016)'
_computing_structure_solution    'SIR-97 (Altamore et al., 1997)'
_diffrn_ambient_temperature      153(2)
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'STOE IPDS 2T'
_diffrn_measurement_method       'area detector'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0435
_diffrn_reflns_av_unetI/netI     0.0399
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            11916
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.994
_diffrn_reflns_theta_min         2.073
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.177
_exptl_absorpt_correction_T_max  0.8878
_exptl_absorpt_correction_T_min  0.7163
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'X-Area and X-Red (STOE & Cie, 2002)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.389
_exptl_crystal_description       plate
_exptl_crystal_F_000             612
_exptl_crystal_size_max          0.320
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.130
_refine_diff_density_max         1.106
_refine_diff_density_min         -0.915
_refine_diff_density_rms         0.106
_refine_ls_extinction_coef       0.0040(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2016/4 (Sheldrick 2016)'
_refine_ls_goodness_of_fit_ref   1.181
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     318
_refine_ls_number_reflns         5600
_refine_ls_number_restraints     70
_refine_ls_restrained_S_all      1.199
_refine_ls_R_factor_all          0.0488
_refine_ls_R_factor_gt           0.0433
_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^)+(0.0250P)^2^+5.6630P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1072
_refine_ls_wR_factor_ref         0.1089
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5051
_reflns_number_total             5600
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ic7b00523_si_002.cif
_cod_data_source_block           li0050
_cod_original_cell_volume        1430.06(11)
_cod_database_code               4349436
_shelx_shelxl_version_number     2016/4
_shelx_estimated_absorpt_t_min   0.705
_shelx_estimated_absorpt_t_max   0.862
_shelx_res_checksum              53404
_shelx_hkl_checksum              76225