Synthesis, detailed geometric analysis and bond-valence method evaluation of the strength of π-arene bonding of two isotypic cationic prehnitene tin(II) complexes: [{1,2,3,4-(CH~3~)~4~C~6~H~2~}~2~Sn~2~Cl~2~][<i>M</i>Cl~4~]~2~ (<i>M</i> = Al and Ga)
Merkelbach, Johannes; Frank, Walter; Acta Crystallographica Section E 75 (2019) 1051–1056; doi:10.1107/S2056989019008508

data_2242993
_publ_section_title
;
 Synthesis, detailed geometric analysis and bond-valence method evaluation
 of the strength of \p-arene bonding of two isotypic cationic prehnitene
 tin(II) complexes:
 [{1,2,3,4-(CH~3~)~4~C~6~H~2~}~2~Sn~2~Cl~2~][<i>M</i>Cl~4~]~2~ (<i>M</i> =
 Al and Ga)
;
_journal_coeditor_code           WM5510
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              1051
_journal_page_last               1056
_journal_paper_doi               10.1107/S2056989019008508
_journal_volume                  75
_journal_year                    2019
_chemical_formula_iupac          '[Al2 Sn2 Cl10 (C10 H14)2]'
_chemical_formula_moiety         '2(C10 H14), Sn2 Cl2 2+, 2(Al Cl4 -)'
_chemical_formula_sum            'C20 H28 Al2 Cl10 Sn2'
_chemical_formula_weight         914.30
_chemical_name_systematic
<i>catena</i>-Poly[[chloridoaluminate(III)]-tri-\m-chlorido-4':1\k^2^<i>Cl</i>,1:2\k^4^<i>Cl</i>-[(\h^6^-1,2,3,4-tetramethylbenzene)tin(II)]-di-\m-chlorido-2:3\k^4^<i>Cl</i>-[(\h^6^-1,2,3,4-tetramethylbenzene)tin(II)]-di-\m-chlorido-3:4\k^4^<i>Cl</i>-[chloridoaluminate(III)]-\m-chlorido-4:1'\k^2^<i>Cl</i>]
_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   geom
_atom_sites_solution_primary     direct
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                85.524(5)
_cell_angle_beta                 72.769(5)
_cell_angle_gamma                86.926(5)
_cell_formula_units_Z            1
_cell_length_a                   8.7512(5)
_cell_length_b                   9.1357(6)
_cell_length_c                   11.2803(7)
_cell_measurement_reflns_used    24404
_cell_measurement_temperature    213(2)
_cell_measurement_theta_max      59.31
_cell_measurement_theta_min      4.47
_cell_volume                     858.30(9)
_computing_cell_refinement
;
X-Area (Stoe & Cie, 2009)
;
_computing_data_collection
;
X-Area (Stoe & Cie, 2009)
;
_computing_data_reduction
;
X-Area (Stoe & Cie, 2009)
;
_computing_molecular_graphics
;
DIAMOND (Brandenburg, 2018)
;
_computing_publication_material
;
publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
SHELXL-2018/3 (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT 2014/5 (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      213(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Stoe IPDS 2T'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0398
_diffrn_reflns_av_unetI/netI     0.0234
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            17750
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.168
_diffrn_reflns_theta_min         2.237
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    2.296
_exptl_absorpt_correction_T_max  0.69720
_exptl_absorpt_correction_T_min  0.47551
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(Blessing, 1995)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.769
_exptl_crystal_description       needle
_exptl_crystal_F_000             444
_exptl_crystal_size_max          0.270
_exptl_crystal_size_mid          0.170
_exptl_crystal_size_min          0.130
_refine_diff_density_max         0.588
_refine_diff_density_min         -0.459
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.243
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     158
_refine_ls_number_reflns         4585
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.243
_refine_ls_R_factor_all          0.0312
_refine_ls_R_factor_gt           0.0276
_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^)+(0.0163P)^2^+0.5546P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0563
_refine_ls_wR_factor_ref         0.0575
_reflns_number_gt                4326
_reflns_number_total             4585
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            wm5510sup1.cif
_cod_data_source_block           I
_cod_database_code               2242993
_shelx_estimated_absorpt_t_min   0.576
_shelx_estimated_absorpt_t_max   0.755
_shelx_hkl_checksum              70185
_shelx_res_checksum              71800
_cod_database_fobs_code 2242993