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_2242994
_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          '[Ga2 Sn2 Cl10 (C10 H14)2]'
_chemical_formula_moiety         '2(C10 H14), Sn2 Cl2 2+, 2(Ga Cl4 -)'
_chemical_formula_sum            'C20 H28 Cl10 Ga2 Sn2'
_chemical_formula_weight         999.78
_chemical_name_systematic
<i>catena</i>-Poly[[chloridogallate(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>-[chloridogallate(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                85.424(3)
_cell_angle_beta                 72.805(3)
_cell_angle_gamma                86.886(4)
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_cell_length_a                   8.7572(4)
_cell_length_b                   9.1310(4)
_cell_length_c                   11.2966(5)
_cell_measurement_reflns_used    21911
_cell_measurement_temperature    213(2)
_cell_measurement_theta_max      59.31
_cell_measurement_theta_min      4.48
_cell_volume                     859.73(7)
_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 0.996
_diffrn_measurement_device_type  'Stoe IPDS 2'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0483
_diffrn_reflns_av_unetI/netI     0.0296
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            17522
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.165
_diffrn_reflns_theta_min         2.239
_exptl_absorpt_coefficient_mu    3.774
_exptl_absorpt_correction_T_max  0.65574
_exptl_absorpt_correction_T_min  0.37624
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(Blessing, 1995)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.931
_exptl_crystal_description       needle
_exptl_crystal_F_000             480
_exptl_crystal_size_max          0.610
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.030
_refine_diff_density_max         0.712
_refine_diff_density_min         -0.502
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.224
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     158
_refine_ls_number_reflns         4638
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.224
_refine_ls_R_factor_all          0.0393
_refine_ls_R_factor_gt           0.0333
_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^)+(0.0176P)^2^+0.9105P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0666
_refine_ls_wR_factor_ref         0.0685
_reflns_number_gt                4242
_reflns_number_total             4638
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            wm5510sup1.cif
_cod_data_source_block           II
_cod_database_code               2242994
_shelx_estimated_absorpt_t_min   0.207
_shelx_estimated_absorpt_t_max   0.895
_shelx_hkl_checksum              6730
_shelx_res_checksum              43475
_cod_database_fobs_code 2242994