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_2311413
_publ_section_title
;
 Synthesis and crystal structures of two new tin bis-(carboranylamidinate)
 complexes.
;
_journal_coeditor_code           ZL2714
_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 (C15 H33 B10 N2)2]'
_chemical_formula_moiety         'C30 H66 B20 N4 Sn'
_chemical_formula_sum            'C30 H66 B20 N4 Sn'
_chemical_formula_weight         817.75
_chemical_name_systematic
;
Bis(<i>N</i>,<i>N</i>'-dicyclohexylamidinatocarboranate)tin(II)
;
_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                97.780(2)
_cell_angle_beta                 99.924(2)
_cell_angle_gamma                99.003(2)
_cell_formula_units_Z            2
_cell_length_a                   10.9097(3)
_cell_length_b                   12.9481(3)
_cell_length_c                   15.4066(4)
_cell_measurement_reflns_used    28532
_cell_measurement_temperature    133(2)
_cell_measurement_theta_max      29.175
_cell_measurement_theta_min      1.928
_cell_volume                     2087.68(10)
_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      133(2)
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0311
_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       19
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            23428
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.999
_diffrn_reflns_theta_min         2.129
_exptl_absorpt_coefficient_mu    0.643
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.301
_exptl_crystal_description       block
_exptl_crystal_F_000             848
_exptl_crystal_size_max          0.290
_exptl_crystal_size_mid          0.270
_exptl_crystal_size_min          0.260
_refine_diff_density_max         0.475
_refine_diff_density_min         -0.623
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     562
_refine_ls_number_reflns         9102
_refine_ls_number_restraints     21
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0256
_refine_ls_R_factor_gt           0.0220
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0298P)^2^+0.9924P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0565
_refine_ls_wR_factor_ref         0.0577
_reflns_number_gt                8436
_reflns_number_total             9102
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            zl2714sup1.cif
_cod_data_source_block           compound_1
_cod_original_cell_volume        2087.67(9)
_cod_database_code               2311413
_shelx_estimated_absorpt_t_min   0.836
_shelx_estimated_absorpt_t_max   0.851
_shelx_hkl_checksum              77364
_shelx_res_checksum              76895