Two Synthetic Approaches for the Preparation of Tin(II) Dications
Schleep, Mario; Hettich, Clarissa; Kratzert, Daniel; Scherer, Harald; Krossing, Ingo; Chem. Commun.  (2017) –; doi:10.1039/C7CC06201J

data_7120639
_publ_section_title
;
 Two Synthetic Approaches for the Preparation of Tin(II) Dications
;
_journal_name_full               'Chem. Commun.'
_journal_paper_doi               10.1039/C7CC06201J
_journal_year                    2017
_chemical_formula_moiety         '4(C16 Al F36 O4), 2(C12 H18 N6 Sn)'
_chemical_formula_sum            'C88 H36 Al4 F144 N12 O16 Sn2'
_chemical_formula_weight         4598.59
_chemical_properties_physical    ', Moisture-sensitive'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-01-16 deposited with the CCDC.
2017-09-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 112.914(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   26.8462(12)
_cell_length_b                   22.2195(10)
_cell_length_c                   27.4111(13)
_cell_measurement_reflns_used    9247
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.271
_cell_measurement_theta_min      2.4645
_cell_volume                     15060.7(12)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker Smart Apex II Quazar'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_unetI/netI     0.0665
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       0
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_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.608
_diffrn_reflns_theta_min         0.823
_diffrn_source                   'Incoatec Mo Microsource'
_exptl_absorpt_coefficient_mu    0.593
_exptl_absorpt_correction_T_max  0.745372
_exptl_absorpt_correction_T_min  0.530210
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'L. Krause, R. Herbst-Irmer, G. M. Sheldrick, D. Stalke, J. Appl. Cryst. 2015, 48, 3--10.'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.028
_exptl_crystal_description       block
_exptl_crystal_F_000             8896
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.565
_refine_diff_density_min         -1.166
_refine_diff_density_rms         0.114
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_reflns         34439
_refine_ls_number_restraints     52215
_refine_ls_restrained_S_all      9.761
_refine_ls_R_factor_all          0.0976
_refine_ls_R_factor_gt           0.0667
_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^)+(0.0474P)^2^+68.9558P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1456
_refine_ls_wR_factor_ref         0.1628
_reflns_Friedel_coverage         0.000
_reflns_number_gt                27610
_reflns_number_total             34439
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7cc06201j2.cif
_cod_data_source_block           twin5
_cod_database_code               7120639
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.881
_shelx_estimated_absorpt_t_max   0.943
_shelx_res_checksum              64560