Synthesis and crystal structures of two new tin bis-(carboranylamidinate) complexes.
Harmgarth, Nicole; Liebing, Phil; Hillebrand, Philipp; Busse, Sabine; Edelmann, Frank T.; Acta crystallographica. Section E, Crystallographic communications 73 (2017) 1443–1448; doi:10.1107/S2056989017012671

data_2311414
_publ_section_title
;
 Synthesis and crystal structures of two new tin bis-(carboranylamidinate)
 complexes.
;
_journal_issue                   'Pt 10'
_journal_name_full
'Acta crystallographica. Section E, Crystallographic communications'
_journal_page_first              1443
_journal_page_last               1448
_journal_paper_doi               10.1107/S2056989017012671
_journal_volume                  73
_journal_year                    2017
_chemical_formula_iupac          '[Sn Cl (C9 H24 B10 N2) (C9 H25 B10 N2)]'
_chemical_formula_moiety         'C18 H49 B20 Cl N4 Sn'
_chemical_formula_sum            'C18 H49 B20 Cl N4 Sn'
_chemical_formula_weight         691.95
_chemical_name_systematic
;
Bis(<i>N</i>,<i>N</i>'-diisopropylamidinatocarboranate)chloridotin(IV)
;
_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   mixed
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2016/4
_cell_angle_alpha                97.078(2)
_cell_angle_beta                 106.572(2)
_cell_angle_gamma                113.377(2)
_cell_formula_units_Z            2
_cell_length_a                   11.3063(4)
_cell_length_b                   13.4631(4)
_cell_length_c                   13.7953(4)
_cell_measurement_reflns_used    20939
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      29.155
_cell_measurement_theta_min      2.003
_cell_volume                     1779.52(11)
_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
;
publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
<i>SHELXL2016/4</i> (Sheldrick, 2015)
;
_computing_structure_solution
;
SIR-97 (Altomare <i>et al.</i>,  1999)
;
_diffrn_ambient_temperature      153(2)
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_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  0.0552
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            15500
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_min         2.003
_exptl_absorpt_coefficient_mu    0.813
_exptl_absorpt_correction_T_max  0.9635
_exptl_absorpt_correction_T_min  0.8316
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
X-Area and X-Red (Stoe & Cie, 2002)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.291
_exptl_crystal_description       plate
_exptl_crystal_F_000             704
_exptl_crystal_size_max          0.340
_exptl_crystal_size_mid          0.230
_exptl_crystal_size_min          0.040
_refine_diff_density_max         0.840
_refine_diff_density_min         -1.169
_refine_ls_extinction_coef       0.0050(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 2015)
;
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     469
_refine_ls_number_reflns         6943
_refine_ls_number_restraints     21
_refine_ls_restrained_S_all      1.014
_refine_ls_R_factor_all          0.0526
_refine_ls_R_factor_gt           0.0394
_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^)+(0.0535P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0870
_refine_ls_wR_factor_ref         0.0917
_reflns_number_gt                5878
_reflns_number_total             6943
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            zl2714sup1.cif
_cod_data_source_block           compound_2
_cod_original_cell_volume        1779.52(10)
_cod_database_code               2311414
_shelx_estimated_absorpt_t_min   0.769
_shelx_estimated_absorpt_t_max   0.968
_shelx_hkl_checksum              98400
_shelx_res_checksum              36080